SCHEMBL2102809

SCHEMBL2102809

CS(=O)(=O)CCNCc1csc(-c2ccc3c(Nc4ccc(S(=O)(=O)c5ccccc5)cc4)ccnc3c2)n1

nearest known ligand 0.45

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 9/20 0.45
MAP4K4 O95819 6/20 0.45
ALK Q9UM73 7/20 0.42
EGFR P00533 3/20 0.41
ERBB2 P04626 1/20 0.41
SLC2A1 P11166 1/20 0.41
RIPK2 O43353 1/20 0.40
KDR P35968 1/20 0.40

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
SCHEMBL27448728 0.94 EGFR (0.45) EGFRERBB2RIPK2KDR
SCHEMBL5425197 0.91 ALK (0.41) TGFBR1MAP4K4ALKEGFRRIPK2
SCHEMBL2099673 0.90 ERBB2 (0.45) TGFBR1MAP4K4ALKEGFRERBB2
SCHEMBL2099203 0.88 EGFR (0.55) ALKEGFRERBB2
SCHEMBL2099760 0.87 EGFR (0.54) EGFRERBB2
SCHEMBL2101047 0.86 SLC2A1 (0.58) TGFBR1MAP4K4ALKEGFRERBB2
SCHEMBL2103093 0.85 TGFBR1 (0.45) TGFBR1MAP4K4ALKEGFRERBB2
SCHEMBL2101517 0.84 TGFBR1 (0.54) TGFBR1MAP4K4ALKEGFRERBB2
SCHEMBL2101273 0.83 EGFR (0.49) EGFRERBB2
SCHEMBL2101122 0.83 EGFR (0.53) TGFBR1MAP4K4ALKEGFRERBB2

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 26 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-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
CN-1134438-C Bicyclic heteroaromatic compounds, preparation method and use thereof �ձ���ҩ��ʽ���� 2004-01-14 CN 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
CN-1292788-A Bicyclic heteroaromatic compounds as protein tyrosine kinase inhibitors GLAXO GROUP LTD (GB) 2001-04-25 CN 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 (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-20030176451-A1 Reacting a heterocyclic-methanesulfonyl substituted-quinazolineamine compound with amine compound CCNH, HRH2, HRH1 TGFBR1 4112/4885MAP4K4 1658/4885ALK 2164/4885
US-20150086545-A1 COMBINATION THERAPY OF HER EXPRESSING TUMORS ERBB2, EGFR, ERBB3 TGFBR1 921/4885MAP4K4 1687/4885ALK 119/4885
US-20020147205-A1 Heterocyclic compounds ERBB2, ERBB3, ERBB4 TGFBR1 3617/4885MAP4K4 146/4885ALK 79/4885
US-20050130996-A1 Heterocyclic compounds CCNH, SDHA, CYP1A2 TGFBR1 3036/4885MAP4K4 2409/4885ALK 2395/4885
US-20160339027-A1 BICYCLIC HETEROAROMATIC COMPOUNDS AS PROTEIN TYROSINE KINASE INHIBITORS ABL1, ERBB2, SRC TGFBR1 1288/4885MAP4K4 165/4885ALK 10/4885
US-20130310562-A1 Bicyclic Heteroaromatic Compounds As Protein Tyrosine Kinase Inhibitors ABL1, ERBB2, SRC TGFBR1 1288/4885MAP4K4 165/4885ALK 10/4885
US-20160051551-A1 BICYCLIC HETEROAROMATIC COMPOUNDS AS PROTEIN TYROSINE KINASE INHIBITORS ABL1, ERBB2, SRC TGFBR1 1288/4885MAP4K4 165/4885ALK 10/4885
US-20150065527-A1 BICYCLIC HETEROAROMATIC COMPOUNDS AS PROTEIN TYROSINE KINASE INHIBITORS ABL1, ERBB2, SRC TGFBR1 1288/4885MAP4K4 165/4885ALK 10/4885
US-20120251530-A1 COMBINATION THERAPY OF HER EXPRESSING TUMORS ERBB2, EGFR, ERBB3 TGFBR1 921/4885MAP4K4 1687/4885ALK 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.