SCHEMBL2099673

SCHEMBL2099673

CS(=O)(=O)CCNCc1csc(-c2ccc3c(Nc4ccc(Oc5ccccc5)cc4)ccnc3c2)n1

nearest known ligand 0.45

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ERBB2 P04626 3/20 0.45
EGFR P00533 5/20 0.44
ALK Q9UM73 7/20 0.41
TGFBR1 P36897 3/20 0.41
MAP4K4 O95819 2/20 0.41
SLC2A1 P11166 1/20 0.40
RIPK2 O43353 1/20 0.39
KDR P35968 1/20 0.39

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
SCHEMBL2101273 0.94 EGFR (0.49) ERBB2EGFR
SCHEMBL2099203 0.92 EGFR (0.55) ERBB2EGFRALK
SCHEMBL5421977 0.91 ERBB2 (0.43) ERBB2EGFRALKTGFBR1MAP4K4
SCHEMBL2102809 0.90 TGFBR1 (0.45) ERBB2EGFRALKTGFBR1MAP4K4
SCHEMBL2102726 0.88 EGFR (0.57) ERBB2EGFRKDR
SCHEMBL2102220 0.86 EGFR (0.60) ERBB2EGFRALKTGFBR1MAP4K4
SCHEMBL2101268 0.86 EGFR (0.47) ERBB2EGFRTGFBR1MAP4K4SLC2A1
SCHEMBL2103317 0.85 EGFR (0.53) ERBB2EGFRRIPK2
SCHEMBL2099957 0.85 ERBB2 (0.46) ERBB2EGFRALKTGFBR1MAP4K4
SCHEMBL5615991 0.85 ERBB2 (0.42) ERBB2EGFRALKTGFBR1MAP4K4

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 24 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-20150086545-A1 COMBINATION THERAPY OF HER EXPRESSING TUMORS GENENTECH, INC. (US) 2015-03-26 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-20120251530-A1 COMBINATION THERAPY OF HER EXPRESSING TUMORS SLIWKOWSKI MARK X (US) 2012-10-04 US disclosed
US-8163287-B2 Combination therapy of her expressing tumors GENENTECH, INC. (US) 2012-04-24 US disclosed
US-20070020261-A1 Combination therapy of her expressing tumors GENENTECH, INC. 2007-01-25 US disclosed
US-7109333-B2 Heterocyclic compounds SMITHKLINE BEECHAM CORPORATION (US) 2006-09-19 US disclosed
US-20050130996-A1 Heterocyclic compounds NOVARTIS AG (CH) 2005-06-16 US 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 ERBB2 2282/4885EGFR 3409/4885ALK 2164/4885
US-20150086545-A1 COMBINATION THERAPY OF HER EXPRESSING TUMORS ERBB2, EGFR, ERBB3 ERBB2 1/4885EGFR 2/4885ALK 119/4885
US-20020147205-A1 Heterocyclic compounds ERBB2, ERBB3, ERBB4 ERBB2 1/4885EGFR 4/4885ALK 79/4885
US-20050130996-A1 Heterocyclic compounds CCNH, SDHA, CYP1A2 ERBB2 3150/4885EGFR 3748/4885ALK 2395/4885
US-20160339027-A1 BICYCLIC HETEROAROMATIC COMPOUNDS AS PROTEIN TYROSINE KINASE INHIBITORS ABL1, ERBB2, SRC ERBB2 2/4885EGFR 7/4885ALK 10/4885
US-20070020261-A1 Combination therapy of her expressing tumors ERBB2, EGFR, ERBB3 ERBB2 1/4885EGFR 2/4885ALK 119/4885
US-20130310562-A1 Bicyclic Heteroaromatic Compounds As Protein Tyrosine Kinase Inhibitors ABL1, ERBB2, SRC ERBB2 2/4885EGFR 7/4885ALK 10/4885
US-20160051551-A1 BICYCLIC HETEROAROMATIC COMPOUNDS AS PROTEIN TYROSINE KINASE INHIBITORS ABL1, ERBB2, SRC ERBB2 2/4885EGFR 7/4885ALK 10/4885
US-20150065527-A1 BICYCLIC HETEROAROMATIC COMPOUNDS AS PROTEIN TYROSINE KINASE INHIBITORS ABL1, ERBB2, SRC ERBB2 2/4885EGFR 7/4885ALK 10/4885
US-20120251530-A1 COMBINATION THERAPY OF HER EXPRESSING TUMORS ERBB2, EGFR, ERBB3 ERBB2 1/4885EGFR 2/4885ALK 119/4885

“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.