Sugi Predict

Sugi Predict / Compounds / SCHEMBL2102175

SCHEMBL2102175

SCHEMBL2102175

CS(=O)(=O)CCNCc1cnc(-c2ccc3c(Nc4ccc5c(cnn5Cc5ccccc5)c4)ncnc3c2)s1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ERBB2 P04626 13/20 0.71
▸ EGFR P00533 13/20 0.68
▸ ERBB4 Q15303 3/20 0.51
▸ MEN1 O00255 1/20 0.51
▸ RGS12 O14924 1/20 0.51
▸ GMNN O75496 1/20 0.51
▸ ALDH1A1 P00352 1/20 0.51
▸ LMNA P02545 1/20 0.51
▸ RAF1 P04049 1/20 0.51
▸ TP53 P04637 1/20 0.51
▸ CYP1A2 P05177 1/20 0.51
▸ CYP3A4 P08684 1/20 0.51
▸ CYP2D6 P10635 1/20 0.51
▸ MAPT P10636 1/20 0.51
▸ CYP2C9 P11712 1/20 0.51
▸ HPGD P15428 1/20 0.51
▸ ALOX15 P16050 1/20 0.51
▸ NFKB1 P19838 1/20 0.51
▸ APEX1 P27695 1/20 0.51
▸ MAPK1 P28482 1/20 0.51

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
SCHEMBL2103448 0.94 ERBB2 (0.79) ERBB2EGFRERBB4MEN1RGS12
SCHEMBL2100985 0.89 ERBB2 (0.69) ERBB2EGFRERBB4MEN1RGS12
SCHEMBL2099064 0.89 ERBB2 (0.58) ERBB2EGFRERBB4MEN1RGS12
SCHEMBL2101457 0.89 ERBB2 (0.72) ERBB2EGFRERBB4MEN1RGS12
SCHEMBL2100339 0.88 EGFR (0.71) ERBB2EGFRERBB4MEN1RGS12
SCHEMBL2299532 0.88 ERBB2 (0.90) ERBB2EGFRERBB4MEN1CYP3A4
SCHEMBL2099948 0.88 ERBB2 (0.71) ERBB2EGFRERBB4MEN1RGS12
SCHEMBL2101000 0.88 EGFR (0.72) ERBB2EGFRERBB4MEN1RGS12
SCHEMBL8367088 0.87 ERBB2 (0.71) ERBB2EGFRERBB4MEN1RGS12
SCHEMBL2100413 0.86 EGFR (0.90) ERBB2EGFRERBB4MEN1RGS12

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 25 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-20070015775-A1 HETEROCYCLIC COMPOUNDS LEO OSPREY LIMITED (GB) 2007-01-18 — — 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 3409/4885ERBB4 3155/4885
US-20150086545-A1 COMBINATION THERAPY OF HER EXPRESSING TUMORS ERBB2, EGFR, ERBB3 ERBB2 1/4885EGFR 2/4885ERBB4 4/4885
US-20020147205-A1 Heterocyclic compounds ERBB2, ERBB3, ERBB4 ERBB2 1/4885EGFR 4/4885ERBB4 3/4885
US-20050130996-A1 Heterocyclic compounds CCNH, SDHA, CYP1A2 ERBB2 3150/4885EGFR 3748/4885ERBB4 4053/4885
US-20070015775-A1 HETEROCYCLIC COMPOUNDS CCNH, SDHA, CYP1A2 ERBB2 3150/4885EGFR 3748/4885ERBB4 4053/4885
US-20160339027-A1 BICYCLIC HETEROAROMATIC COMPOUNDS AS PROTEIN TYROSINE KINASE INHIBITORS ABL1, ERBB2, SRC ERBB2 2/4885EGFR 7/4885ERBB4 17/4885
US-20130310562-A1 Bicyclic Heteroaromatic Compounds As Protein Tyrosine Kinase Inhibitors ABL1, ERBB2, SRC ERBB2 2/4885EGFR 7/4885ERBB4 17/4885
US-20160051551-A1 BICYCLIC HETEROAROMATIC COMPOUNDS AS PROTEIN TYROSINE KINASE INHIBITORS ABL1, ERBB2, SRC ERBB2 2/4885EGFR 7/4885ERBB4 17/4885
US-20150065527-A1 BICYCLIC HETEROAROMATIC COMPOUNDS AS PROTEIN TYROSINE KINASE INHIBITORS ABL1, ERBB2, SRC ERBB2 2/4885EGFR 7/4885ERBB4 17/4885
US-20120251530-A1 COMBINATION THERAPY OF HER EXPRESSING TUMORS ERBB2, EGFR, ERBB3 ERBB2 1/4885EGFR 2/4885ERBB4 4/4885

“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.