SCHEMBL4447098

SCHEMBL4447098

COc1ccc2ncc(C#N)c(Nc3ccc4cn[nH]c4c3)c2c1

nearest known ligand 0.64

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MAP2K1 Q02750 8/20 0.64
RAF1 P04049 3/20 0.64
SRC P12931 7/20 0.55
PDE4B Q07343 1/20 0.54
EGFR P00533 6/20 0.53
ERBB2 P04626 5/20 0.53

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
SCHEMBL4451083 0.92 MAP2K1 (0.64) MAP2K1RAF1SRCEGFRERBB2
SCHEMBL4443460 0.87 EGFR (0.71) MAP2K1SRCEGFRERBB2
SCHEMBL4453384 0.85 MAP2K1 (0.65) MAP2K1RAF1SRCPDE4BEGFR
SCHEMBL2203629 0.82 EGFR (0.66) MAP2K1SRCEGFRERBB2
SCHEMBL2200378 0.82 EGFR (0.66) MAP2K1SRCEGFRERBB2
SCHEMBL4450594 0.81 EGFR (0.64) MAP2K1SRCEGFRERBB2
SCHEMBL2205725 0.81 EGFR (0.65) MAP2K1SRCEGFRERBB2
SCHEMBL4445445 0.80 EGFR (0.61) MAP2K1SRCEGFRERBB2
SCHEMBL4445590 0.80 EGFR (0.61) MAP2K1SRCEGFRERBB2
SCHEMBL4449201 0.79 MAP2K1 (0.52) MAP2K1RAF1SRCEGFRERBB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1117659-B1 SUBSTITUTED 3-CYANOQUINOLINES AS PROTEIN TYROSINE KINASES INHIBITORS WYETH CORP (US) 2003-12-03 EP claimed
US-6288082-B1 COMPOUNDS SUCH AS 6,7-DIETHOXY-4-(INDAN-5-YLAMINO) -QUINOLINE-3-CARBONITRILE USED AS ANTINEOPLASTIC AGENTS AND IN THE TREATMENT OF POLYCYCSTIC KIDNEY DISEASE AMERICAN CYANAMID COMPANY 2001-09-11 US claimed
US-20090325877-A1 Combination Product of Receptor Tyrosine Kinase Inhibitor and Fatty Acid Synthase Inhibitor for Treating Cancer WYETH (US) 2009-12-31 US disclosed
US-6288082-B1 COMPOUNDS SUCH AS 6,7-DIETHOXY-4-(INDAN-5-YLAMINO) -QUINOLINE-3-CARBONITRILE USED AS ANTINEOPLASTIC AGENTS AND IN THE TREATMENT OF POLYCYCSTIC KIDNEY DISEASE AMERICAN CYANAMID COMPANY 2001-09-11 US 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-20090325877-A1 Combination Product of Receptor Tyrosine Kinase Inhibitor and Fatty Acid Synthase Inhibitor for Treating Cancer FASN, FRS2, FGFR1 MAP2K1 840/4885RAF1 126/4885SRC 9/4885

“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.