SCHEMBL4445586

SCHEMBL4445586

COc1cc2ncc(C#N)c(Nc3ccc(N(Cc4cccnc4)C(C)=O)c(Cl)c3)c2cc1NC(C)=O

nearest known ligand 0.63

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
STK4 Q13043 8/20 0.63
EGFR P00533 11/20 0.62
ERBB2 P04626 11/20 0.62
STK3 Q13188 1/20 0.57
SRC P12931 1/20 0.52
KDR P35968 1/20 0.52

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
SCHEMBL4451215 0.90 EGFR (0.55) STK4EGFRERBB2SRC
SCHEMBL4451042 0.90 EGFR (0.78) STK4EGFRERBB2STK3SRC
SCHEMBL4451048 0.90 EGFR (0.78) STK4EGFRERBB2STK3SRC
SCHEMBL4450592 0.88 EGFR (0.53) STK4EGFRERBB2SRC
SCHEMBL6992365 0.87 STK4 (0.49) STK4EGFRERBB2STK3SRC
SCHEMBL7001084 0.83 MAP3K8 (0.48) STK4EGFRERBB2STK3SRC
SCHEMBL4448963 0.83 MAP2K1 (0.70) EGFRERBB2SRC
SCHEMBL6996533 0.82 MAP3K8 (0.47) STK4EGFRERBB2SRC
SCHEMBL22419649 0.80 STK4 (0.79) STK4EGFRERBB2STK3
SCHEMBL5020080 0.80 EGFR (0.78) STK4EGFRERBB2STK3SRC

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 STK4 383/4885EGFR 20/4885ERBB2 8/4885

“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.