SCHEMBL1997367

SCHEMBL1997367

Cc1ccc(Sc2cccc3[nH]c4nc(N)nc(N)c4c23)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
TYMS P04818 9/20 1.00
EGFR P00533 6/20 1.00
PDGFRB P09619 5/20 1.00
KDR P35968 3/20 1.00
FLT3 P36888 2/20 1.00
DHFR P00374 8/20 0.64

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
SCHEMBL29377583 1.00 TYMS (1.00) TYMSEGFRPDGFRBKDRFLT3
SCHEMBL1994777 0.88 TYMS (1.00) TYMSEGFRPDGFRBKDRFLT3
SCHEMBL2126685 0.79 DHFR (1.00) TYMSEGFRPDGFRBKDRFLT3
SCHEMBL12620147 0.77 TYMS (0.61) TYMSEGFRPDGFRBKDRFLT3
SCHEMBL17528544 0.75 EGFR (0.60) TYMSEGFRPDGFRBKDRFLT3
SCHEMBL15906568 0.72 TYMS (0.70) TYMSEGFRPDGFRBKDRFLT3
SCHEMBL12391891 0.72 EGFR (0.63) TYMSEGFRPDGFRBKDRFLT3
SCHEMBL17500020 0.72 EGFR (0.59) TYMSEGFRPDGFRBKDRFLT3
SCHEMBL2012865 0.68 TYMS (0.51) TYMSEGFRPDGFRBKDRFLT3
SCHEMBL12282639 0.67 TYMS (0.64) TYMSEGFRPDGFRBKDRFLT3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10654858-B2 Tricyclic compounds having cytostatic and/or cytotoxic activity and methods of use thereof DUQUESNE UNIVERSITY OF THE HOLY GHOST (US) 2020-05-19 US disclosed
US-20190211019-A1 TRICYCLIC COMPOUNDS HAVING CYTOSTATIC AND/OR CYTOTOXIC ACTIVITY AND METHODS OF USE THEREOF DUQUESNE UNIVERSITY OF THE HOLY GHOST 2019-07-11 US disclosed
US-10208051-B2 Tricyclic compounds having cytostatic and/or cytotoxic activity and methods of use thereof DUQUESNE UNIVERSITY OF THE HOLY GHOST (US) 2019-02-19 US disclosed
US-20180162863-A1 TRICYCLIC COMPOUNDS HAVING CYTOSTATIC AND/OR CYTOTOXIC ACTIVITY AND METHODS OF USE THEREOF DUQUESNE UNIVERSITY OF THE HOLY GHOST (US) 2018-06-14 US disclosed
US-20180162863-A1 TRICYCLIC COMPOUNDS HAVING CYTOSTATIC AND/OR CYTOTOXIC ACTIVITY AND METHODS OF USE THEREOF DUQUESNE UNIVERSITY OF THE HOLY GHOST (US) 2018-06-14 US disclosed
US-9896455-B2 Tricyclic compounds having cytostatic and/or cytotoxic activity and methods of use thereof DUQUESNE UNIVERSITY OF THE HOLY SPIRIT (US) 2018-02-20 US disclosed
US-9896455-B2 Tricyclic compounds having cytostatic and/or cytotoxic activity and methods of use thereof DUQUESNE UNIVERSITY OF THE HOLY SPIRIT (US) 2018-02-20 US disclosed
US-20170253612-A1 PYRIMIDINE COMPOUNDS AND PYRIMIDO INDOLE COMPOUNDS AND METHODS OF USE DUQUESNE UNIVERSITY OF THE HOLY SPIRIT (US) 2017-09-07 US disclosed
US-9688690-B2 Pyrimidine compounds and pyrimido indole compounds and methods of use DUQUESNE UNIVERSITY OF THE HOLY GHOST (US) 2017-06-27 US disclosed
US-20160355520-A1 Tricyclic Compounds Having Cytostatic and/or Cytotoxic Activity and Methods of Use Thereof DUQUESNE UNIVERSITY OF THE HOLY GHOST 2016-12-08 US disclosed
US-8314114-B2 Tricyclic compounds having cytostatic and/or cytoxic activity and methods of use thereof DUQUESNE UNIVERSITY OF THE HOLY GHOST (US) 2012-11-20 US disclosed
US-20110207757-A1 Tricyclic Compounds Having Cytostatic and/or Cytoxic Activity and Methods of Use Thereof DUQUESNE UNIVERSITY OF THE HOLY GHOST (US) 2011-08-25 US disclosed
US-20110207757-A1 Tricyclic Compounds Having Cytostatic and/or Cytoxic Activity and Methods of Use Thereof DUQUESNE UNIVERSITY OF THE HOLY GHOST (US) 2011-08-25 US disclosed
US-20110207757-A1 Tricyclic Compounds Having Cytostatic and/or Cytoxic Activity and Methods of Use Thereof DUQUESNE UNIVERSITY OF THE HOLY GHOST (US) 2011-08-25 US disclosed
US-7960400-B2 Tricyclic compounds having cytostatic and/or cytotoxic activity and methods of use thereof DUQUESNE UNIVERSITY OF THE HOLY GHOST (US) 2011-06-14 US disclosed
US-7960400-B2 Tricyclic compounds having cytostatic and/or cytotoxic activity and methods of use thereof DUQUESNE UNIVERSITY OF THE HOLY GHOST (US) 2011-06-14 US disclosed
US-7960400-B2 Tricyclic compounds having cytostatic and/or cytotoxic activity and methods of use thereof DUQUESNE UNIVERSITY OF THE HOLY GHOST (US) 2011-06-14 US disclosed
US-20090062318-A1 TRICYCLIC COMPOUNDS HAVING CYTOSTATIC AND/OR CYTOTOXIC ACTIVITY AND METHODS OF USE THEREOF DUQUESNE UNIVERSITY OF THE HOLY GHOST 2009-03-05 US disclosed
US-20090062318-A1 TRICYCLIC COMPOUNDS HAVING CYTOSTATIC AND/OR CYTOTOXIC ACTIVITY AND METHODS OF USE THEREOF DUQUESNE UNIVERSITY OF THE HOLY GHOST 2009-03-05 US disclosed
US-20090062318-A1 TRICYCLIC COMPOUNDS HAVING CYTOSTATIC AND/OR CYTOTOXIC ACTIVITY AND METHODS OF USE THEREOF DUQUESNE UNIVERSITY OF THE HOLY GHOST 2009-03-05 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 (8 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-20180162863-A1 TRICYCLIC COMPOUNDS HAVING CYTOSTATIC AND/OR CYTOTOXIC ACTIVITY AND METHODS OF USE THEREOF DHFR, TK1, TYMS TYMS 3/4885EGFR 334/4885PDGFRB 586/4885
US-20090062318-A1 TRICYCLIC COMPOUNDS HAVING CYTOSTATIC AND/OR CYTOTOXIC ACTIVITY AND METHODS OF USE THEREOF DHFR, TK1, TYMS TYMS 3/4885EGFR 334/4885PDGFRB 586/4885
US-20170253612-A1 PYRIMIDINE COMPOUNDS AND PYRIMIDO INDOLE COMPOUNDS AND METHODS OF USE DPYD, HPRT1, TPMT TYMS 6/4885EGFR 1982/4885PDGFRB 1337/4885
US-20160355520-A1 Tricyclic Compounds Having Cytostatic and/or Cytotoxic Activity and Methods of Use Thereof DHFR, TK1, TYMS TYMS 3/4885EGFR 334/4885PDGFRB 586/4885
US-10208051-B2 Tricyclic compounds having cytostatic and/or cytotoxic activity and methods of use thereof DHFR, TK1, TYMS TYMS 3/4885EGFR 334/4885PDGFRB 586/4885
US-20190211019-A1 TRICYCLIC COMPOUNDS HAVING CYTOSTATIC AND/OR CYTOTOXIC ACTIVITY AND METHODS OF USE THEREOF DHFR, TK1, TYMS TYMS 3/4885EGFR 334/4885PDGFRB 586/4885
US-20110207757-A1 Tricyclic Compounds Having Cytostatic and/or Cytoxic Activity and Methods of Use Thereof DHFR, TK1, TK2 TYMS 4/4885EGFR 327/4885PDGFRB 606/4885
US-10654858-B2 Tricyclic compounds having cytostatic and/or cytotoxic activity and methods of use thereof DHFR, TK1, TYMS TYMS 3/4885EGFR 334/4885PDGFRB 586/4885

“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.