SCHEMBL3321585

SCHEMBL3321585

COc1cc2ncnc(Nc3ccc(S(=O)(=O)c4ccccc4)cc3)c2cc1-c1ccc(C2OCCO2)o1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 9/20 0.56
KDR P35968 5/20 0.49
RET P07949 1/20 0.49
LRRK2 Q5S007 1/20 0.49
LCK P06239 2/20 0.48
ERBB2 P04626 2/20 0.48
ERBB4 Q15303 2/20 0.48
AURKB Q96GD4 5/20 0.48
AURKA O14965 3/20 0.48
RIPK2 O43353 1/20 0.47
EPHB2 P29323 1/20 0.47
EPHA2 P29317 1/20 0.46
EPHB4 P54760 1/20 0.46
SRC P12931 1/20 0.44
ABCG2 Q9UNQ0 1/20 0.44
USP2 O75604 1/20 0.44
ALDH1A1 P00352 1/20 0.44
LMNA P02545 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44

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
SCHEMBL3320187 0.88 EGFR (0.44) EGFRKDRRETLRRK2ERBB2
SCHEMBL8133814 0.85 EGFR (0.53) EGFRKDRRETLRRK2LCK
SCHEMBL3318464 0.84 EGFR (0.58) EGFRKDRRETLCKERBB2
Hydrochloric Acid SCHEMBL3321026 0.84 EGFR (0.53) EGFRKDRRETLRRK2LCK
SCHEMBL3322180 0.84 EGFR (0.57) EGFRKDRRETLRRK2LCK
SCHEMBL3320825 0.83 ERBB2 (0.48) EGFRKDRLRRK2ERBB2ERBB4
SCHEMBL8807167 0.81 EGFR (0.75) EGFRKDRRETLRRK2LCK
SCHEMBL2098974 0.80 EGFR (0.60) EGFRRETERBB2ERBB4AURKB
SCHEMBL3321581 0.78 CSF1R (0.42) EGFRKDRRETLRRK2ERBB2
Hydrochloric Acid SCHEMBL8516667 0.78 AURKB (0.64) EGFRKDRRETLRRK2LCK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160339027-A1 BICYCLIC HETEROAROMATIC COMPOUNDS AS PROTEIN TYROSINE KINASE INHIBITORS NOVARTIS AG (CH) 2016-11-24 US disclosed
US-20160051551-A1 BICYCLIC HETEROAROMATIC COMPOUNDS AS PROTEIN TYROSINE KINASE INHIBITORS NOVARTIS AG (CH) 2016-02-25 US disclosed
US-9199973-B2 Bicyclic heteroaromatic compounds as protein tyrosine kinase inhibitors NOVARTIS AG (CH) 2015-12-01 US disclosed
US-20150065527-A1 BICYCLIC HETEROAROMATIC COMPOUNDS AS PROTEIN TYROSINE KINASE INHIBITORS NOVARTIS AG (CH) 2015-03-05 US disclosed
US-8912205-B2 Bicyclic heteroaromatic compounds as protein tyrosine kinase inhibitors GLAXOSMITHKLINE LLC (US) 2014-12-16 US disclosed
US-20130310562-A1 Bicyclic Heteroaromatic Compounds As Protein Tyrosine Kinase Inhibitors GLAXOSMITHKLINE LLC (US) 2013-11-21 US disclosed
US-8513262-B2 Bicyclic heteroaromatic compounds as protein tyrosine kinase inhibitors GLAXOSMITHKLINE LLC (US) 2013-08-20 US disclosed
US-20100120804-A1 Bicyclic heteroaromatic compounds as protein tyrosine kinase inhibitors NOVARTIS AG (CH) 2010-05-13 US disclosed
US-20070238875-A1 HETEROCYCLIC COMPOUNDS LEO OSPREY LIMITED (GB) 2007-10-11 US disclosed
US-20070015775-A1 HETEROCYCLIC COMPOUNDS LEO OSPREY LIMITED (GB) 2007-01-18 US disclosed
EP-1460072-B1 Bicyclic heteroaromatic compounds as protein tyrosine kinase inhibitors GLAXO GROUP LTD (GB) 2006-04-05 EP disclosed
US-20050130996-A1 Heterocyclic compounds NOVARTIS AG (CH) 2005-06-16 US disclosed
EP-1460072-A1 Bicyclic heteroaromatic compounds as protein tyrosine kinase inhibitors GLAXO GROUP LIMITED (GB) 2004-09-22 EP disclosed
EP-1454907-A1 Quninazoline and pyridopyrmidine derivatives Glaxo Group Limited (GB) 2004-09-08 EP disclosed
US-6727256-B1 4-AMINOQUINAZOLINE DERIVATIVES AS ANTICARCINOGENIC AGENTS SMITHKLINE BEECHAM CORPORATION 2004-04-27 US disclosed
US-6713485-B2 ANTIPROLIFERATIVE AGENTS; SIDE EFFECT REDUCTION SMITHKLINE BEECHAM CORPORATION 2004-03-30 US disclosed
US-20030176451-A1 Reacting a heterocyclic-methanesulfonyl substituted-quinazolineamine compound with amine compound LEO OSPREY LIMITED (GB) 2003-09-18 US disclosed
US-20020147205-A1 Heterocyclic compounds NOVARTIS AG (CH) 2002-10-10 US disclosed
EP-1047694-A1 BICYCLIC HETEROAROMATIC COMPOUNDS AS PROTEIN TYROSINE KINASE INHIBITORS GLAXO GROUP LIMITED (GB) 2000-11-02 EP disclosed
WO-1999035146-A1 BICYCLIC HETEROAROMATIC COMPOUNDS AS PROTEIN TYROSINE KINASE INHIBITORS GLAXO GROUP LIMITED (GB) 1999-07-15 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 (10 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-20030176451-A1 Reacting a heterocyclic-methanesulfonyl substituted-quinazolineamine compound with amine compound CCNH, HRH2, HRH1 EGFR 3409/4885KDR 2016/4885RET 3083/4885
US-20020147205-A1 Heterocyclic compounds ERBB2, ERBB3, ERBB4 EGFR 4/4885KDR 107/4885RET 29/4885
US-20050130996-A1 Heterocyclic compounds CCNH, SDHA, CYP1A2 EGFR 3748/4885KDR 2028/4885RET 3482/4885
US-20070015775-A1 HETEROCYCLIC COMPOUNDS CCNH, SDHA, CYP1A2 EGFR 3748/4885KDR 2028/4885RET 3482/4885
US-20160339027-A1 BICYCLIC HETEROAROMATIC COMPOUNDS AS PROTEIN TYROSINE KINASE INHIBITORS ABL1, ERBB2, SRC EGFR 7/4885KDR 60/4885RET 8/4885
US-20100120804-A1 Bicyclic heteroaromatic compounds as protein tyrosine kinase inhibitors ABL1, ERBB2, CDK2 EGFR 69/4885KDR 195/4885RET 11/4885
US-20130310562-A1 Bicyclic Heteroaromatic Compounds As Protein Tyrosine Kinase Inhibitors ABL1, ERBB2, SRC EGFR 7/4885KDR 60/4885RET 8/4885
US-20160051551-A1 BICYCLIC HETEROAROMATIC COMPOUNDS AS PROTEIN TYROSINE KINASE INHIBITORS ABL1, ERBB2, SRC EGFR 7/4885KDR 60/4885RET 8/4885
US-20150065527-A1 BICYCLIC HETEROAROMATIC COMPOUNDS AS PROTEIN TYROSINE KINASE INHIBITORS ABL1, ERBB2, SRC EGFR 7/4885KDR 60/4885RET 8/4885
US-20070238875-A1 HETEROCYCLIC COMPOUNDS CCNH, SDHA, CYP1A2 EGFR 3748/4885KDR 2028/4885RET 3482/4885

“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.