SCHEMBL5253402

SCHEMBL5253402

COc1cc2cc3ncc(C#N)c(Nc4ccc(F)c(Cl)c4)c3cc2cc1OCCCl

nearest known ligand 0.86

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
EGFR P00533 12/20 0.86
ERBB2 P04626 10/20 0.75
SRC P12931 7/20 0.62
MAP2K1 Q02750 1/20 0.57

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
SCHEMBL5252264 1.00 EGFR (0.86) EGFRERBB2SRCMAP2K1
SCHEMBL5255334 0.93 EGFR (1.00) EGFRERBB2SRCMAP2K1
SCHEMBL5251901 0.87 EGFR (0.83) EGFRERBB2SRCMAP2K1
SCHEMBL5252793 0.87 EGFR (0.83) EGFRERBB2SRCMAP2K1
SCHEMBL5106023 0.86 EGFR (1.00) EGFRERBB2SRCMAP2K1
SCHEMBL5255722 0.86 MAP2K1 (0.70) EGFRERBB2SRCMAP2K1
SCHEMBL5252404 0.86 MAP2K1 (0.70) EGFRERBB2SRCMAP2K1
SCHEMBL5251183 0.85 EGFR (0.63) EGFRERBB2SRCMAP2K1
SCHEMBL5257589 0.85 EGFR (0.63) EGFRERBB2SRCMAP2K1
SCHEMBL5251692 0.85 SRC (0.75) EGFRERBB2SRC

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1242382-B1 TRICYCLIC PROTEIN KINASE INHIBITORS WYETH CORP (US) 2007-02-07 EP claimed
US-20060247217-A1 Tricyclic protein kinase inhibitors BERGER DAN M 2006-11-02 US claimed
US-20040110762-A1 Tricyclic protein kinase inhibitors WYETH 2004-06-10 US claimed
US-6638929-B2 Compounds containing nicotinonitrile rings; anticarcinogenic and -tumor agents; polycystic kidney disease and colonic polyps; antiproliferative agents; angiogenesis inhibitors; restenosis; atherosclerosis; angiofibromas; hemangiomas; WYETH 2003-10-28 US claimed
EP-1242382-A1 TRICYCLIC PROTEIN KINASE INHIBITORS Wyeth (US) 2002-09-25 EP claimed
US-20010051620-A1 Tricyclic protein kinase inhibitors AMERICAN HOME PRODUCTS CORPORATION (US) 2001-12-13 US claimed
WO-2001047892-A1 TRICYCLIC PROTEIN KINASE INHIBITORS WYETH (US) 2001-07-05 WO claimed
EP-1242382-B1 TRICYCLIC PROTEIN KINASE INHIBITORS WYETH CORP (US) 2007-02-07 EP disclosed
US-20060247217-A1 Tricyclic protein kinase inhibitors BERGER DAN M 2006-11-02 US disclosed
US-7105531-B2 Tricyclic protein kinase inhibitors WYETH (US) 2006-09-12 US disclosed
US-20040110762-A1 Tricyclic protein kinase inhibitors WYETH 2004-06-10 US disclosed
US-6638929-B2 Compounds containing nicotinonitrile rings; anticarcinogenic and -tumor agents; polycystic kidney disease and colonic polyps; antiproliferative agents; angiogenesis inhibitors; restenosis; atherosclerosis; angiofibromas; hemangiomas; WYETH 2003-10-28 US disclosed
EP-1242382-A1 TRICYCLIC PROTEIN KINASE INHIBITORS Wyeth (US) 2002-09-25 EP disclosed
US-20010051620-A1 Tricyclic protein kinase inhibitors AMERICAN HOME PRODUCTS CORPORATION (US) 2001-12-13 US disclosed
WO-2001047892-A1 TRICYCLIC PROTEIN KINASE INHIBITORS WYETH (US) 2001-07-05 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 (3 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-20040110762-A1 Tricyclic protein kinase inhibitors CDK1, CDKN1A, CDK2 EGFR 172/4885ERBB2 46/4885SRC 104/4885
US-20060247217-A1 Tricyclic protein kinase inhibitors CDK1, CDKN1A, CDK2 EGFR 173/4885ERBB2 49/4885SRC 117/4885
US-20010051620-A1 Tricyclic protein kinase inhibitors CDK1, CHEK1, ABL1 EGFR 337/4885ERBB2 75/4885SRC 134/4885

“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.