SCHEMBL13655122

SCHEMBL13655122

Cc1ccc(Oc2ccn3ncnc3c2)c(C)c1

nearest known ligand 0.47

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ERBB2 P04626 19/20 0.47
EGFR P00533 8/20 0.47
NQO2 P16083 1/20 0.47
FECH P22830 1/20 0.47
MYH14 Q7Z406 1/20 0.47
RIPK3 Q9Y572 1/20 0.47

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
SCHEMBL20172422 0.86 ERBB2 (0.40) ERBB2EGFRNQO2FECHMYH14
SCHEMBL29414877 0.86 ERBB2 (0.48) ERBB2EGFRNQO2FECHMYH14
SCHEMBL1192195 0.86 ERBB2 (0.48) ERBB2EGFRNQO2FECHMYH14
SCHEMBL12261810 0.85 ERBB2 (0.45) ERBB2EGFRNQO2FECHMYH14
SCHEMBL29907348 0.84 ERBB2 (0.46) ERBB2EGFRNQO2FECHMYH14
SCHEMBL23135652 0.84 ERBB2 (0.45) ERBB2EGFRNQO2FECHMYH14
SCHEMBL12310561 0.84 ERBB2 (0.44) ERBB2EGFRNQO2FECHMYH14
SCHEMBL26894024 0.83 ERBB2 (0.43) ERBB2EGFRNQO2FECHMYH14
SCHEMBL18181595 0.82 TEAD4 (0.38) ERBB2EGFRNQO2FECHMYH14
SCHEMBL26579583 0.82 ERBB2 (0.44) ERBB2EGFRNQO2FECHMYH14

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024044570-A1 COMPOUNDS AND METHODS FOR MODULATING HER2 IAMBIC THERAPEUTICS, INC. (US) 2024-02-29 WO disclosed
US-20210085796-A1 ANTICANCER DRUGS AND METHODS OF MAKING AND USING SAME YALE UNIVERSITY 2021-03-25 US disclosed
WO-2021030711-A1 ALKYNYL QUINAZOLINE COMPOUNDS BLACK DIAMOND THERAPEUTICS, INC. (US) 2021-02-18 WO disclosed
EP-3549934-A1 HETEROARYL COMPOUNDS AND USES THEREOF Celgene CAR LLC (BM) 2019-10-09 EP disclosed
EP-2680850-B1 ALKYNE SUBSTITUTED QUINAZOLINE COMPOUND AND METHODS OF USE NEWGEN THERAPEUTICS INC (US) 2018-05-23 EP disclosed
US-20170100397-A1 HETEROARYL COMPOUNDS AND USES THEREOF BRISTOL-MYERS SQUIBB COMPANY 2017-04-13 US disclosed
US-20160311780-A1 HETEROARYL COMPOUNDS AND USES THEREOF CELGENE AVILOMICS RES INC (US) 2016-10-27 US disclosed
US-20160303121-A1 HETEROARYL COMPOUNDS AND USES THEREOF BRISTOL-MYERS SQUIBB COMPANY 2016-10-20 US disclosed
US-20160279127-A1 HETEROARYL COMPOUNDS AND USES THEREOF CELGENE AVILOMICS RESEARCH, INC. 2016-09-29 US disclosed
US-9409921-B2 2,4-disubstituted pyrimidines as kinase inhibitors CELGENE AVILOMICS RESEARCH, INC. (US) 2016-08-09 US disclosed
US-9212181-B2 Substituted 2,4-diaminopyrimidines as kinase inhibitors CELGENE AVILOMICS RESEARCH, INC. (US) 2015-12-15 US disclosed
US-20150328223-A1 HETEROARYL COMPOUNDS AND USES THEREOF CELGENE AVILOMICS RESEARCH, INC. 2015-11-19 US disclosed
US-9187459-B2 Quinazoline-7-ether compounds and methods of use NEWGEN THERAPEUTICS, INC. (US) 2015-11-17 US disclosed
US-20140303165-A1 HETEROARYL COMPOUNDS AND USES THEREOF CELGENE AVILOMICS RESEARCH, INC. 2014-10-09 US disclosed
US-8748606-B2 4,6-diaminopyrimidines useful as kinase inhibitors CELGENE AVILOMICS RESEARCH, INC. (US) 2014-06-10 US disclosed
US-8710222-B2 2,4-disubstituted pyrimidines useful as kinase inhibitors CELGENE AVILOMICS RESEARCH, INC. (US) 2014-04-29 US disclosed
US-20130217688-A1 HETEROARYL COMPOUNDS AND USES THEREOF CELGENE AVILOMICS RESEARCH, INC. (US) 2013-08-22 US disclosed
US-20130165462-A1 HETEROARYL COMPOUNDS AND USES THEREOF CELGENE AVILOMICS RESEARCH, INC. (US) 2013-06-27 US disclosed
US-8445498-B2 4,6-disubstituted pyrimidines useful as kinase inhibitors CELGENE AVILOMICS RESEARCH, INC. (US) 2013-05-21 US disclosed
EP-1971601-B1 N4-PHENYL-QUINAZOLINE-4 -AMINE DERIVATIVES AND RELATED COMPOUNDS AS ERBB TYPE I RECEPTOR TYROSINE KINASE INHIBITORS FOR THE TREATMENT OF HYPERPROLIFERATIVE DISEASES ARRAY BIOPHARMA INC (US) 2009-10-21 EP 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 (9 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-20160303121-A1 HETEROARYL COMPOUNDS AND USES THEREOF ABCG2, CYP3A43, CYP3A5 ERBB2 918/4885EGFR 1981/4885NQO2 217/4885
US-20210085796-A1 ANTICANCER DRUGS AND METHODS OF MAKING AND USING SAME MTHFD1, DHFR, ABCG2 ERBB2 99/4885EGFR 24/4885NQO2 326/4885
US-20160311780-A1 HETEROARYL COMPOUNDS AND USES THEREOF ABCG2, CYP3A43, CYP3A5 ERBB2 918/4885EGFR 1981/4885NQO2 217/4885
US-20160279127-A1 HETEROARYL COMPOUNDS AND USES THEREOF ABCG2, CYP3A43, CYP3A5 ERBB2 918/4885EGFR 1981/4885NQO2 217/4885
US-20150328223-A1 HETEROARYL COMPOUNDS AND USES THEREOF ABCG2, CYP3A43, CYP3A5 ERBB2 918/4885EGFR 1981/4885NQO2 217/4885
US-20130217688-A1 HETEROARYL COMPOUNDS AND USES THEREOF ABCG2, CYP3A43, CYP3A5 ERBB2 918/4885EGFR 1981/4885NQO2 217/4885
US-20140303165-A1 HETEROARYL COMPOUNDS AND USES THEREOF ABCG2, CYP3A43, CYP3A5 ERBB2 918/4885EGFR 1981/4885NQO2 217/4885
US-20130165462-A1 HETEROARYL COMPOUNDS AND USES THEREOF ABCG2, CYP3A43, CYP3A5 ERBB2 918/4885EGFR 1981/4885NQO2 217/4885
US-20170100397-A1 HETEROARYL COMPOUNDS AND USES THEREOF ABCG2, CYP3A43, CYP3A5 ERBB2 918/4885EGFR 1981/4885NQO2 217/4885

“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.