SCHEMBL1891986

SCHEMBL1891986

CN(C)CCN1CCN(c2cc3ncc(C#N)c(Nc4ccc(F)c(Cl)c4)c3cc2N)CC1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP3K8 P41279 10/20 0.56
EGFR P00533 10/20 0.55
ERBB2 P04626 6/20 0.55
MAPK13 O15264 1/20 0.53
PRKD3 O94806 1/20 0.53
PRKCG P05129 1/20 0.53
PRKCB P05771 1/20 0.53
SRC P12931 1/20 0.53
PRKCA P17252 1/20 0.53
PRKCH P24723 1/20 0.53
PRKCI P41743 1/20 0.53
MAPK12 P53778 1/20 0.53
PRKCE Q02156 1/20 0.53
MAP2K1 Q02750 1/20 0.53
PRKCQ Q04759 1/20 0.53
PRKCZ Q05513 1/20 0.53
PRKCD Q05655 1/20 0.53
PRKD1 Q15139 1/20 0.53
MAPK11 Q15759 1/20 0.53
MAPK14 Q16539 1/20 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
SCHEMBL1896991 0.89 MAP3K8 (0.62) MAP3K8EGFRERBB2MAPK13PRKD3
SCHEMBL1897363 0.87 MAP3K8 (0.53) MAP3K8EGFRERBB2MAPK13PRKD3
SCHEMBL1894502 0.84 MAP3K8 (0.65) MAP3K8EGFRERBB2MAPK13PRKD3
SCHEMBL1895937 0.84 EGFR (0.66) EGFRERBB2SRCMAP2K1PRKCD
SCHEMBL6072168 0.84 MAP3K8 (0.52) MAP3K8EGFRERBB2MAPK13PRKD3
SCHEMBL6072173 0.83 MAP3K8 (0.67) MAP3K8EGFRMAPK13SRCPRKCA
SCHEMBL4964468 0.78 EGFR (0.70) MAP3K8EGFRERBB2SRC
SCHEMBL1900730 0.78 EGFR (0.79) EGFRERBB2SRC
SCHEMBL27728136 0.77 EGFR (0.82) MAP3K8EGFRERBB2MAPK13PRKD3
SCHEMBL1893977 0.76 MAP3K8 (0.58) MAP3K8EGFRERBB2MAPK13PRKD3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-RE42376-E1 Substituted 3-cyanoquinolines WYETH HOLDINGS CORPORATION (US) 2011-05-17 US claimed
EP-2253620-A1 Substituted 3-cyanoquinolines as protein tyrosine kinases inhibitors Wyeth Holdings Corporation (US) 2010-11-24 EP claimed
EP-1950201-A1 Substituted 3-cyanoquinolines as protein tyrosine kinases inhibitors Wyeth Holdings Corporation (US) 2008-07-30 EP claimed
US-6297258-B1 USEFUL AS ANTINEOPLASTIC AGENTS AND IN THE TREATMENT OF POLYCYSTIC KIDNEY DISEASE. AMERICAN CYANAMID COMPANY 2001-10-02 US claimed
EP-1117649-A1 SUBSTITUTED 3-CYANOQUINOLINES AS PROTEIN TYROSINE KINASES INHIBITORS American Cyanamid Company (US) 2001-07-25 EP claimed
WO-2000018740-A1 SUBSTITUTED 3-CYANOQUINOLINES AS PROTEIN TYROSINE KINASES INHIBITORS AMERICAN CYANAMID COMPANY (US) 2000-04-06 WO claimed
EP-2896612-A1 Substituted 3-cyanoquinolines as protein tyrosine kinases inhibitors Wyeth Holdings LLC (US) 2015-07-22 EP disclosed
EP-2253620-B1 SUBSTITUTED 3-CYANOQUINOLINES AS PROTEIN TYROSINE KINASES INHIBITORS WYETH HOLDINGS LLC (US) 2014-03-12 EP disclosed
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
WO-2009151910-A2 COMBINATION PRODUCT OF RECEPTOR TYROSINE KINASE INHIBITOR AND FATTY ACID SYNTHASE INHIBITOR FOR TREATING CANCER WYETH (US) 2009-12-17 WO disclosed
CN-101223143-A 3-cyanoquinoline inhibitors of TPL2 kinase and methods of making and using the same WYETH CORP (US) 2008-07-16 CN 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 MAP3K8 217/4885EGFR 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.