SCHEMBL1366540

SCHEMBL1366540

COc1ccc(N(C)c2nc(C)nc3sc4c(c23)CCCC4)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TUBB3 Q13509 5/20 0.59
ABCB1 P08183 4/20 0.59
LMNA P02545 3/20 0.52
ALDH1A1 P00352 2/20 0.52
KMT2A Q03164 2/20 0.52
MEN1 O00255 1/20 0.52
CDKN1A P38936 3/20 0.50
POLB P06746 1/20 0.49
KDR P35968 3/20 0.46
EGFR P00533 2/20 0.46
PDGFRB P09619 2/20 0.46
MAPT P10636 3/20 0.46
KDM4E B2RXH2 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
PTGS2 P35354 2/20 0.45
PDGFRA P16234 1/20 0.45
TUBB4A P04350 1/20 0.45
TUBB P07437 1/20 0.45
TUBA3C P0DPH7 1/20 0.45
TUBA1B P68363 1/20 0.45

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
SCHEMBL12143434 0.88 CDKN1A (0.49) TUBB3ABCB1LMNAALDH1A1KMT2A
SCHEMBL5579213 0.78 KDR (0.52) TUBB3ABCB1KDREGFRPDGFRB
SCHEMBL3109740 0.77 TUBB3 (0.95) TUBB3ABCB1KDREGFRPDGFRB
SCHEMBL1366266 0.77 TUBB3 (0.61) TUBB3ABCB1KDREGFRPDGFRB
SCHEMBL5334199 0.76 TUBB3 (0.53) TUBB3ABCB1KDREGFRPDGFRB
SCHEMBL13413606 0.74 TUBB3 (1.00) TUBB3ABCB1KDREGFRPDGFRB
SCHEMBL3118973 0.69 KDR (0.60) TUBB3ABCB1LMNAKMT2AKDR
SCHEMBL15236249 0.69 ALDH1A1 (0.56) LMNAALDH1A1KMT2AMEN1POLB
SCHEMBL19141867 0.69 MEN1 (0.45) ABCB1LMNAALDH1A1KMT2AMEN1
Hydrochloric Acid SCHEMBL5579328 0.69 KDR (0.59) TUBB3ABCB1LMNAKMT2AKDR

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 62 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-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
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
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-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-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-20110288108-A1 TRICYCLIC COMPOUNDS HAVING ANTIMITOTIC AND/OR ANTITUMOR ACTIVITY AND METHODS OF USE THEREOF GANGJEE ALEEM (US) 2011-11-24 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-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-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-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
WO-2010006032-A1 TRICYCLIC COMPOUNDS HAVING ANTIMITOTIC AND/OR ANTITUMOR ACTIVITY AND METHODS OF USE THEREOF DUQUESNE UNIVERSITY OF THE HOLY SPIRIT (US) 2010-01-14 WO 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-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-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

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

For each of this compound's patents that has machine-readable text (6 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 TUBB3 139/4885ABCB1 3/4885LMNA 683/4885
US-20200017521-A1 TRICYCLIC COMPOUNDS HAVING ANTIMITOTIC AND/OR ANTITUMOR ACTIVITY AND METHODS OF USE THEREOF PLK1, AURKC, TOP1 TUBB3 70/4885ABCB1 529/4885LMNA 894/4885
US-20110288108-A1 TRICYCLIC COMPOUNDS HAVING ANTIMITOTIC AND/OR ANTITUMOR ACTIVITY AND METHODS OF USE THEREOF ABCG2, ABCC1, ABCB1 TUBB3 139/4885ABCB1 3/4885LMNA 683/4885
US-10676483-B2 Tricyclic compounds having antimitotic and/or antitumor activity and methods of use thereof PLK1, AURKC, TOP1 TUBB3 70/4885ABCB1 529/4885LMNA 894/4885
US-11091500-B2 Tricyclic compounds having antimitotic and/or antitumor activity and methods of use thereof ABCC1, ABCB1, ABCG2 TUBB3 41/4885ABCB1 2/4885LMNA 803/4885
US-10464944-B2 Tricyclic compounds having antimitotic and/or antitumor activity and methods of use thereof ABCC1, ABCG2, TP53 TUBB3 44/4885ABCB1 4/4885LMNA 617/4885

“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.