SCHEMBL1369490

SCHEMBL1369490

Nc1nc2[nH]c3ccccc3c2c(=O)[nH]1

nearest known ligand 0.61

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TYMS P04818 14/20 0.61
QTRT1 Q9BXR0 1/20 0.53
EGFR P00533 1/20 0.49
CHEK1 O14757 1/20 0.49
DYRK1A Q13627 1/20 0.47
CA5A P35218 1/20 0.47
KDM4E B2RXH2 1/20 0.46
ALDH1A1 P00352 1/20 0.46
LMNA P02545 1/20 0.46
CYP1A2 P05177 1/20 0.46
POLB P06746 1/20 0.46
CYP3A4 P08684 1/20 0.46
MAPT P10636 1/20 0.46
CYP2C9 P11712 1/20 0.46
HPGD P15428 1/20 0.46
TSHR P16473 1/20 0.46
CYP2C19 P33261 1/20 0.46
HSD17B10 Q99714 1/20 0.46

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL16509138 0.78 CHEK1 (0.46) TYMSEGFRCHEK1CA5AKDM4E
SCHEMBL1367742 0.78 TYMS (0.61) TYMSEGFRCHEK1
SCHEMBL30588970 0.78 TYMS (0.61) TYMSEGFRCHEK1
SCHEMBL12620146 0.76 TYMS (0.60) TYMS
SCHEMBL16009388 0.73 EGFR (0.60) TYMSEGFRCA5AKDM4EALDH1A1
SCHEMBL103993 0.73 ALDH1A1 (0.53) TYMSQTRT1CHEK1CA5AKDM4E
SCHEMBL6647619 0.72 TYMS (1.00) TYMSQTRT1LMNAPOLBMAPT
SCHEMBL1923985 0.72 EGFR (0.63) TYMSEGFRCA5AKDM4EALDH1A1
SCHEMBL3123673 0.72 PARP1 (0.50) EGFRCHEK1KDM4EALDH1A1LMNA
SCHEMBL30588977 0.72 PARP1 (0.50) EGFRCHEK1KDM4EALDH1A1LMNA

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 26 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11091500-B2 Tricyclic compounds having antimitotic and/or antitumor activity and methods of use thereof DUQUESNE UNIVERSITY OF THE HOLY SPIRIT (US) 2021-08-17 US disclosed
US-10676483-B2 Tricyclic compounds having antimitotic and/or antitumor activity and methods of use thereof DUQUESNE UNIVERSITY OF THE HOLY SPIRIT (US) 2020-06-09 US disclosed
EP-2310014-B1 TRICYCLIC COMPOUNDS HAVING ANTIMITOTIC AND/OR ANTITUMOR ACTIVITY AND METHODS OF USE THEREOF UNIV HOLY GHOST DUQUESNE (US) 2020-03-18 EP disclosed
US-20200017521-A1 TRICYCLIC COMPOUNDS HAVING ANTIMITOTIC AND/OR ANTITUMOR ACTIVITY AND METHODS OF USE THEREOF DUQUESNE UNIVERSITY OF THE HOLY SPIRIT 2020-01-16 US disclosed
US-10464944-B2 Tricyclic compounds having antimitotic and/or antitumor activity and methods of use thereof DUQUESNE UNIVERSITY OF THE HOLY SPIRIT (US) 2019-11-05 US disclosed
US-10414777-B2 Tricyclic compounds having antimitotic and/or antitumor activity and method of use thereof DUQUESNE UNIVERSITY OF THE HOLY SPIRIT (US) 2019-09-17 US disclosed
US-9987283-B2 Tricyclic compounds having antimitotic and/or antitumor activity and methods of use thereof DUQUESNE UNIVERSITY OF THE HOLY SPIRIT (US) 2018-06-05 US disclosed
US-20180127434-A1 TRICYCLIC COMPOUNDS HAVING ANTIMITOTIC AND/OR ANTITUMOR ACTIVITY AND METHOD OF USE THEREOF DUQUESNE UNIVERSITY OF THE HOLY SPIRIT (US) 2018-05-10 US disclosed
US-9802955-B2 Tricyclic compounds having antimitotic and/or antitumor activity and methods of use thereof DUQUESNE UNIVERSITY OF THE HOLY SPIRIT (US) 2017-10-31 US disclosed
US-20170246170-A1 Tricyclic Compounds Having Antimitotic and/or Antitumor Activity and Methods of Use Thereof DUQUESNE UNIVERSITY OF THE HOLY SPIRIT 2017-08-31 US disclosed
US-9045489-B2 Tricyclic compounds having antimitotic and/or antitumor activity and methods of use thereof DUQUESNE UNIVERSITY OF THE HOLY SPIRIT (US) 2015-06-02 US disclosed
US-20130096146-A1 Tricyclic Compounds Having Antimitotic and/or Antitumor Activity and Methods of Use Thereof DUQUESNE UNIVERSITY OF THE HOLY SPIRIT 2013-04-18 US disclosed
US-8309564-B2 Tricyclic compounds having antimitotic and/or antitumor activity and methods of use thereof DUQUESNE UNIVERSITY OF THE HOLY SPIRIT (US) 2012-11-13 US disclosed
US-20110295002-A1 TRICYCLIC COMPOUNDS HAVING ANTIMITOTIC AND/OR ANTITUMOR ACTIVITY AND METHODS OF USE THEREOF DUQUESNE UNIVERSITY OF THE HOLY SPIRIT 2011-12-01 US disclosed
US-20110288108-A1 TRICYCLIC COMPOUNDS HAVING ANTIMITOTIC AND/OR ANTITUMOR ACTIVITY AND METHODS OF USE THEREOF GANGJEE ALEEM (US) 2011-11-24 US disclosed
US-7982035-B2 Tricyclic compounds having antimitotic and/or antitumor activity and methods of use thereof DUQUESNE UNIVERSITY OF THE HOLY SPIRIT (US) 2011-07-19 US disclosed
US-20090082374-A1 TRICYCLIC COMPOUNDS HAVING ANTIMITOTIC AND/OR ANTITUMOR ACTIVITY AND METHODS OF USE THEREOF DUQUESNE UNIVERSITY OF THE HOLY SPIRIT 2009-03-26 US disclosed
US-6596726-B1 Method of inhibiting epidermal growth factor by treating, with an effective inhibiting amount, a mammal, in need thereof inhibit the epidermal growth factor receptor and related receptors and, in particular, their tyrosine kinase enzyme WARNER LAMBERT COMPANY 2003-07-22 US disclosed
EP-0741711-A1 TRICYCLIC COMPOUNDS CAPABLE OF INHIBITING TYROSINE KINASES OF THE EPIDERMAL GROWTH FACTOR RECEPTOR FAMILY WARNER-LAMBERT COMPANY (US) 1996-11-13 EP disclosed
WO-1995019970-A1 TRICYCLIC COMPOUNDS CAPABLE OF INHIBITING TYROSINE KINASES OF THE EPIDERMAL GROWTH FACTOR RECEPTOR FAMILY WARNER-LAMBERT COMPANY (US) 1995-07-27 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (11 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20090082374-A1 TRICYCLIC COMPOUNDS HAVING ANTIMITOTIC AND/OR ANTITUMOR ACTIVITY AND METHODS OF USE THEREOF ABCG2, ABCC1, ABCB1 TYMS 54/4885QTRT1 436/4885EGFR 3072/4885
US-20200017521-A1 TRICYCLIC COMPOUNDS HAVING ANTIMITOTIC AND/OR ANTITUMOR ACTIVITY AND METHODS OF USE THEREOF PLK1, AURKC, TOP1 TYMS 26/4885QTRT1 333/4885EGFR 3430/4885
US-20110288108-A1 TRICYCLIC COMPOUNDS HAVING ANTIMITOTIC AND/OR ANTITUMOR ACTIVITY AND METHODS OF USE THEREOF ABCG2, ABCC1, ABCB1 TYMS 54/4885QTRT1 436/4885EGFR 3072/4885
US-10676483-B2 Tricyclic compounds having antimitotic and/or antitumor activity and methods of use thereof PLK1, AURKC, TOP1 TYMS 26/4885QTRT1 333/4885EGFR 3430/4885
US-20180127434-A1 TRICYCLIC COMPOUNDS HAVING ANTIMITOTIC AND/OR ANTITUMOR ACTIVITY AND METHOD OF USE THEREOF ABCG2, ABCC1, ABCB1 TYMS 49/4885QTRT1 437/4885EGFR 3276/4885
US-20130096146-A1 Tricyclic Compounds Having Antimitotic and/or Antitumor Activity and Methods of Use Thereof ABCG2, ABCC1, ABCB1 TYMS 54/4885QTRT1 436/4885EGFR 3072/4885
US-11091500-B2 Tricyclic compounds having antimitotic and/or antitumor activity and methods of use thereof ABCC1, ABCB1, ABCG2 TYMS 102/4885QTRT1 536/4885EGFR 2114/4885
US-10464944-B2 Tricyclic compounds having antimitotic and/or antitumor activity and methods of use thereof ABCC1, ABCG2, TP53 TYMS 89/4885QTRT1 566/4885EGFR 3140/4885
US-20110295002-A1 TRICYCLIC COMPOUNDS HAVING ANTIMITOTIC AND/OR ANTITUMOR ACTIVITY AND METHODS OF USE THEREOF ABCG2, ABCC1, ABCB1 TYMS 54/4885QTRT1 436/4885EGFR 3072/4885
US-20170246170-A1 Tricyclic Compounds Having Antimitotic and/or Antitumor Activity and Methods of Use Thereof ABCC1, ABCG2, TP53 TYMS 89/4885QTRT1 566/4885EGFR 3140/4885
US-10414777-B2 Tricyclic compounds having antimitotic and/or antitumor activity and method of use thereof ABCG2, ABCC1, ABCB1 TYMS 49/4885QTRT1 437/4885EGFR 3276/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.