SCHEMBL4449038

SCHEMBL4449038

COc1cccc2ncc(C#N)c(Nc3ccc4cn[nH]c4c3)c12

nearest known ligand 0.62

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MAP2K1 Q02750 4/20 0.62
RAF1 P04049 3/20 0.62
SRC P12931 4/20 0.56
EGFR P00533 12/20 0.50
ERBB2 P04626 9/20 0.50
RET P07949 1/20 0.48
KDR P35968 1/20 0.48
GAK O14976 2/20 0.48

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
SCHEMBL4445202 0.86 SRC (0.48) MAP2K1RAF1SRCEGFRERBB2
SCHEMBL4456737 0.84 RET (0.51) MAP2K1RAF1SRCEGFRERBB2
SCHEMBL4443460 0.84 EGFR (0.71) MAP2K1SRCEGFRERBB2RET
SCHEMBL6996472 0.80 MAP2K1 (0.64) MAP2K1RAF1SRCEGFRERBB2
SCHEMBL2203629 0.79 EGFR (0.66) MAP2K1SRCEGFRERBB2RET
SCHEMBL2200378 0.79 EGFR (0.66) MAP2K1SRCEGFRERBB2RET
SCHEMBL4451083 0.79 MAP2K1 (0.64) MAP2K1RAF1SRCEGFRERBB2
SCHEMBL4447098 0.79 MAP2K1 (0.64) MAP2K1RAF1SRCEGFRERBB2
SCHEMBL7834903 0.79 TGFBR1 (0.57) RAF1EGFRRETKDR
SCHEMBL7000645 0.78 EGFR (0.51) MAP2K1SRCEGFRERBB2RET

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 5 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
EP-1117659-A1 SUBSTITUTED 3-CYANOQUINOLINES AS PROTEIN TYROSINE KINASES INHIBITORS American Cyanamid Company (US) 2001-07-25 EP claimed
WO-2000018761-A1 SUBSTITUTED 3-CYANOQUINOLINES AS PROTEIN TYROSINE KINASES INHIBITORS AMERICAN CYANAMID COMPANY (US) 2000-04-06 WO 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

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.