SCHEMBL114539

SCHEMBL114539

CS(=O)(=O)CCNCc1nc(-c2ccc3ncnc(Nc4ccc(OCc5cccc(F)c5)c(Cl)c4)c3c2)cs1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 19/20 1.00
ERBB2 P04626 13/20 1.00
MEN1 O00255 3/20 1.00
KMT2A Q03164 3/20 1.00
MAPK1 P28482 2/20 1.00
CYP3A4 P08684 2/20 0.99
KDM4E B2RXH2 1/20 0.99
ALDH1A1 P00352 1/20 0.99
MAPT P10636 1/20 0.99
ALOX15 P16050 1/20 0.99
HSD17B10 Q99714 1/20 0.99
ABCB11 O95342 2/20 0.74
PIK3C2B O00750 1/20 0.74
MAP2K7 O14733 1/20 0.74
RIPK2 O43353 1/20 0.74
PIK3C2G O75747 1/20 0.74
STK10 O94804 1/20 0.74
ABL1 P00519 1/20 0.74
INSR P06213 1/20 0.74
RET P07949 1/20 0.74

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
Hydrochloric Acid SCHEMBL30362906 0.99 EGFR (1.00) EGFRERBB2MEN1KMT2AMAPK1
Hydrochloric Acid SCHEMBL9988095 0.99 EGFR (1.00) EGFRERBB2MEN1KMT2AMAPK1
Hydrochloric Acid SCHEMBL29556740 0.99 EGFR (1.00) EGFRERBB2MEN1KMT2AMAPK1
SCHEMBL4011172 0.94 EGFR (0.89) EGFRERBB2MEN1KMT2AMAPK1
SCHEMBL4005721 0.94 EGFR (0.89) EGFRERBB2MEN1KMT2AMAPK1
SCHEMBL4008075 0.93 EGFR (0.88) EGFRERBB2MEN1KMT2AMAPK1
SCHEMBL2102233 0.93 EGFR (0.87) EGFRERBB2MEN1KMT2AMAPK1
SCHEMBL4010480 0.93 EGFR (0.87) EGFRERBB2MEN1KMT2AMAPK1
SCHEMBL4005342 0.93 EGFR (0.87) EGFRERBB2MEN1KMT2AMAPK1
SCHEMBL12029760 0.93 EGFR (0.87) EGFRERBB2MEN1KMT2AMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2400033-B1 Method for determining sensitivity of tumor cells to tyrosine kinase inhibitor and computer program product SYSMEX CORP (JP) 2013-02-20 EP claimed
EP-1460072-B1 Bicyclic heteroaromatic compounds as protein tyrosine kinase inhibitors GLAXO GROUP LTD (GB) 2006-04-05 EP claimed
EP-1460072-A1 Bicyclic heteroaromatic compounds as protein tyrosine kinase inhibitors GLAXO GROUP LIMITED (GB) 2004-09-22 EP claimed
EP-4705293-A1 SPIRO-HETEROCYCLIC INHIBITORS OF KRAS G12C MUTANT PROTEINS AND USES THEREOF Amgen Inc. (US) 2026-03-11 EP disclosed
WO-2025217247-A1 TETHERED SPIRO-HETEROCYCLIC INHIBITORS OF KRAS G12C MUTANT PROTEINS AND USES THEREOF AMGEN INC. (US) 2025-10-16 WO disclosed
EP-4598921-A1 MACROCYCLIC KRAS INHIBITORS AND METHODS OF USE Amgen Inc. (US) 2025-08-13 EP disclosed
EP-4598917-A1 HETEROCYCLIC INHIBITORS OF KRAS G12C MUTANT PROTEINS AND USES THEREOF Amgen Inc. (US) 2025-08-13 EP disclosed
WO-2025136346-A1 INDAZOLE CONTAINING COMPOUNDS AND METHODS OF USE AMGEN INC. (US) 2025-06-26 WO disclosed
EP-4479401-A1 QUINAZOLINE COMPOUNDS AND USE THEREOF AS INHIBTORS OF MUTANT KRAS PROTEINS Amgen Inc. (US) 2024-12-25 EP disclosed
EP-4479398-A1 QUINAZOLINE COMPOUNDS AND USE THEREOF AS INHIBTORS OF MUTANT KRAS PROTEINS Amgen Inc. (US) 2024-12-25 EP disclosed
WO-2024229317-A1 SPIRO-HETEROCYCLIC INHIBITORS OF KRAS G12C MUTANT PROTEINS AND USES THEREOF AMGEN INC. (US) 2024-11-07 WO disclosed
US-20030176451-A1 Reacting a heterocyclic-methanesulfonyl substituted-quinazolineamine compound with amine compound LEO OSPREY LIMITED (GB) 2003-09-18 US disclosed
CN-1440403-A Quinazoline ditosylate compounds GLAXO GROUP LTD (GB) 2003-09-03 CN disclosed
WO-2003053446-A1 THIENOPYRIMIDINE COMPOUNDS AS PROTEIN TYROSINE KINASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2003-07-03 WO disclosed
EP-1294715-A1 QUINAZOLINE DITOSYLATE SALT COMPOUNDS GLAXO GROUP LIMITED (GB) 2003-03-26 EP disclosed
US-20020147205-A1 Heterocyclic compounds NOVARTIS AG (CH) 2002-10-10 US disclosed
WO-2002056912-A2 PHARMACEUTICAL COMBINATION FOR THE TREATMENT OF CANCER CONTAINING A 4-QUINAZOLINEAMINE AND ANOTHER ANTI-NEOPLASTIC AGENT GLAXO GROUP LIMITED (GB) 2002-07-25 WO disclosed
WO-2002002552-A1 QUINAZOLINE DITOSYLATE SALT COMPOUNDS GLAXO GROUP LIMITED (GB) 2002-01-10 WO 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 (2 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 3409/4885ERBB2 2282/4885MEN1 215/4885
US-20020147205-A1 Heterocyclic compounds ERBB2, ERBB3, ERBB4 EGFR 4/4885ERBB2 1/4885MEN1 3421/4885

“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.