SCHEMBL6767162

SCHEMBL6767162

CNS(=O)(=O)CCNCc1ccc(-c2ccc3ncnc(Nc4ccc(OCc5ccccc5)cc4)c3c2)o1

nearest known ligand 0.86

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 14/20 0.86
ERBB2 P04626 13/20 0.86
MEN1 O00255 1/20 0.60
PIK3C2B O00750 1/20 0.60
MAP2K7 O14733 1/20 0.60
RIPK2 O43353 1/20 0.60
PIK3C2G O75747 1/20 0.60
STK10 O94804 1/20 0.60
ABCB11 O95342 1/20 0.60
ABL1 P00519 1/20 0.60
INSR P06213 1/20 0.60
RET P07949 1/20 0.60
CYP3A4 P08684 1/20 0.60
PDGFRB P09619 1/20 0.60
SRC P12931 1/20 0.60
CYP3A5 P20815 1/20 0.60
ERBB3 P21860 1/20 0.60
CDK2 P24941 1/20 0.60
KMT2A Q03164 1/20 0.60
KCNH2 Q12809 1/20 0.60

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
SCHEMBL2099497 0.92 EGFR (1.00) EGFRERBB2MEN1PIK3C2BMAP2K7
Hydrochloric Acid SCHEMBL30957044 0.92 EGFR (0.98) EGFRERBB2MEN1PIK3C2BMAP2K7
Hydrochloric Acid SCHEMBL3326222 0.92 EGFR (0.98) EGFRERBB2MEN1PIK3C2BMAP2K7
SCHEMBL6766771 0.91 EGFR (0.85) EGFRERBB2
SCHEMBL5411238 0.89 EGFR (0.83) EGFRERBB2
SCHEMBL4352969 0.89 EGFR (0.84) EGFRERBB2MEN1PIK3C2BMAP2K7
Hydrochloric Acid SCHEMBL6768052 0.88 EGFR (0.83) EGFRERBB2MEN1PIK3C2BMAP2K7
SCHEMBL2100751 0.86 EGFR (0.88) EGFRERBB2MEN1PIK3C2BMAP2K7
Hydrochloric Acid SCHEMBL3323289 0.85 ERBB2 (0.76) EGFRERBB2
SCHEMBL2101289 0.85 EGFR (0.86) EGFRERBB2MEN1PIK3C2BMAP2K7

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0912559-B1 FUSED HETEROCYCLIC COMPOUNDS AS PROTEIN TYROSINE KINASE INHIBITORS GLAXO GROUP LTD (GB) 2002-11-06 EP claimed
US-6391874-B1 ANTICARCINOGENIC AGENTS; SKIN DISORDERS SMITHKLINE BEECHAM CORPORATION 2002-05-21 US claimed
EP-0912559-A1 FUSED HETEROCYCLIC COMPOUNDS AS PROTEIN TYROSINE KINASE INHIBITORS GLAXO GROUP LIMITED (GB) 1999-05-06 EP claimed
WO-1998002434-A1 FUSED HETEROCYCLIC COMPOUNDS AS PROTEIN TYROSINE KINASE INHIBITORS GLAXO GROUP LIMITED (GB) 1998-01-22 WO claimed
US-6828320-B2 Enzyme inhibitors; anticancer agents SMITHKLINE BEECHAM CORPORATION 2004-12-07 US disclosed
EP-0912559-B1 FUSED HETEROCYCLIC COMPOUNDS AS PROTEIN TYROSINE KINASE INHIBITORS GLAXO GROUP LTD (GB) 2002-11-06 EP disclosed
US-20020147214-A1 Heterocyclic compounds NOVARTIS AG (CH) 2002-10-10 US disclosed
US-6391874-B1 ANTICARCINOGENIC AGENTS; SKIN DISORDERS SMITHKLINE BEECHAM CORPORATION 2002-05-21 US disclosed
EP-0912559-A1 FUSED HETEROCYCLIC COMPOUNDS AS PROTEIN TYROSINE KINASE INHIBITORS GLAXO GROUP LIMITED (GB) 1999-05-06 EP disclosed
WO-1998002434-A1 FUSED HETEROCYCLIC COMPOUNDS AS PROTEIN TYROSINE KINASE INHIBITORS GLAXO GROUP LIMITED (GB) 1998-01-22 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 (1 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-20020147214-A1 Heterocyclic compounds BRAF, ABL1, CSK EGFR 354/4885ERBB2 35/4885MEN1 2117/4885

“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.