SCHEMBL2991673

SCHEMBL2991673

Cc1cccc(Nc2ncnc3cnc(N)cc23)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
EGFR P00533 15/20 1.00
ERBB2 P04626 3/20 0.72
MAPK1 P28482 1/20 0.64
HTT P42858 1/20 0.64
HIF1A Q16665 1/20 0.64
CD38 P28907 1/20 0.60
GRM1 Q13255 1/20 0.59

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
SCHEMBL6836432 0.90 EGFR (1.00) EGFRERBB2HTTHIF1A
SCHEMBL11965408 0.85 EGFR (0.78) EGFRERBB2MAPK1HTTGRM1
SCHEMBL2764474 0.84 EGFR (1.00) EGFRERBB2
SCHEMBL7975392 0.84 EGFR (0.73) EGFRERBB2MAPK1HTTHIF1A
SCHEMBL159209 0.84 EGFR (1.00) EGFRERBB2MAPK1HTTHIF1A
SCHEMBL29350058 0.84 EGFR (1.00) EGFRERBB2MAPK1HTTHIF1A
SCHEMBL7965274 0.83 EGFR (1.00) EGFRERBB2MAPK1HTTHIF1A
SCHEMBL8871863 0.82 EGFR (0.82) EGFRERBB2MAPK1HTTHIF1A
SCHEMBL2101971 0.81 EGFR (0.80) EGFRERBB2MAPK1HTTHIF1A
SCHEMBL16882281 0.81 EGFR (0.82) EGFRHTTCD38GRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7786131-B2 Anticancer agents; restenosis; atherosclerosis; skin disorders WARNER-LAMBERT COMPANY (US) 2010-08-31 US disclosed
EP-0892789-B2 IRREVERSIBLE INHIBITORS OF TYROSINE KINASES WARNER LAMBERT CO (US) 2009-11-18 EP disclosed
US-20030229051-A1 Irreversible inhibitors of tyrosine kinases BRIDGES ALEXANDER JAMES (US) 2003-12-11 US disclosed
US-6602863-B1 Irreversible inhibitors of tyrosine kinases WARNER-LAMBERT COMPANY 2003-08-05 US disclosed
EP-0892789-B1 IRREVERSIBLE INHIBITORS OF TYROSINE KINASES WARNER LAMBERT CO (US) 2002-02-27 EP disclosed
US-6344459-B1 TREATING CANCER, RESTENOSIS, ATHEROSCLEROSIS, ENDOMETRIOSIS, AND PSORIASIS WARNER-LAMBERT COMPANY 2002-02-05 US disclosed
EP-0892789-A1 IRREVERSIBLE INHIBITORS OF TYROSINE KINASES WARNER-LAMBERT COMPANY (US) 1999-01-27 EP disclosed
WO-1997038983-A1 IRREVERSIBLE INHIBITORS OF TYROSINE KINASES WARNER-LAMBERT COMPANY (US) 1997-10-23 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-20030229051-A1 Irreversible inhibitors of tyrosine kinases ERBB2, ERBB3, LCK EGFR 26/4885ERBB2 1/4885MAPK1 232/4885

“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.