SCHEMBL4452474

SCHEMBL4452474

COc1cc2ncc(C#N)c(Nc3ccc4nn[nH]c4c3)c2cc1OCCCN1CCOCC1

nearest known ligand 0.75

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MAP2K1 Q02750 17/20 0.75
EGFR P00533 1/20 0.71
ERBB2 P04626 1/20 0.71
RAF1 P04049 1/20 0.70
MAPK3 P27361 1/20 0.70
MAPK1 P28482 1/20 0.70
SRC P12931 2/20 0.66
IGF1R P08069 1/20 0.66

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
Hydrochloric Acid SCHEMBL7000958 0.99 MAP2K1 (0.74) MAP2K1EGFRERBB2RAF1MAPK3
Hydrochloric Acid SCHEMBL6997647 0.93 MAP2K1 (0.74) MAP2K1EGFRERBB2RAF1MAPK3
SCHEMBL4450583 0.88 MAP2K1 (0.75) MAP2K1EGFRERBB2RAF1MAPK3
SCHEMBL2206555 0.88 MAP2K1 (0.75) MAP2K1EGFRERBB2RAF1MAPK3
Hydrochloric Acid SCHEMBL6997359 0.87 MAP2K1 (0.74) MAP2K1EGFRERBB2RAF1MAPK3
SCHEMBL6999070 0.87 MAP2K1 (0.56) MAP2K1EGFRERBB2RAF1MAPK3
SCHEMBL4453393 0.85 EGFR (0.61) MAP2K1EGFRERBB2SRC
SCHEMBL4447122 0.84 MAP2K1 (0.70) MAP2K1EGFRERBB2RAF1MAPK3
SCHEMBL4456067 0.84 MAP2K1 (0.78) MAP2K1EGFRERBB2RAF1MAPK3
SCHEMBL6382223 0.84 MAP2K1 (0.78) MAP2K1EGFRERBB2RAF1MAPK3

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 8 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
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
EP-1117659-A1 SUBSTITUTED 3-CYANOQUINOLINES AS PROTEIN TYROSINE KINASES INHIBITORS American Cyanamid Company (US) 2001-07-25 EP disclosed
WO-2000018761-A1 SUBSTITUTED 3-CYANOQUINOLINES AS PROTEIN TYROSINE KINASES INHIBITORS AMERICAN CYANAMID COMPANY (US) 2000-04-06 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 (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 840/4885EGFR 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.