SCHEMBL4450776

SCHEMBL4450776

COc1cc2c(Nc3ccc(Cn4cnnn4)cc3)c(C#N)cnc2cc1OCCCN1CCOCC1

nearest known ligand 0.75

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MAP2K1 Q02750 17/20 0.75
RAF1 P04049 1/20 0.70
MAPK3 P27361 1/20 0.70
MAPK1 P28482 1/20 0.70
EGFR P00533 1/20 0.70
ERBB2 P04626 1/20 0.70
SRC P12931 2/20 0.66
IGF1R P08069 1/20 0.66
FYN P06241 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
SCHEMBL4454670 0.90 MAP2K1 (0.76) MAP2K1RAF1MAPK3MAPK1EGFR
SCHEMBL4454654 0.88 MAP2K1 (0.74) MAP2K1RAF1MAPK3MAPK1EGFR
SCHEMBL4447762 0.87 MAP2K1 (0.81) MAP2K1RAF1MAPK3MAPK1EGFR
SCHEMBL6999043 0.86 MAP2K1 (0.56) MAP2K1RAF1MAPK3MAPK1EGFR
SCHEMBL4457381 0.86 MAP2K1 (1.00) MAP2K1RAF1MAPK3MAPK1EGFR
SCHEMBL4454646 0.85 MAP2K1 (1.00) MAP2K1RAF1MAPK3MAPK1EGFR
SCHEMBL4456367 0.83 MAP2K1 (1.00) MAP2K1RAF1MAPK3MAPK1EGFR
SCHEMBL4448999 0.83 MAP2K1 (1.00) MAP2K1RAF1MAPK3MAPK1EGFR
SCHEMBL4456067 0.83 MAP2K1 (0.78) MAP2K1RAF1MAPK3MAPK1EGFR
SCHEMBL346145 0.83 MAP2K1 (1.00) MAP2K1RAF1MAPK3MAPK1EGFR

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 6 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

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 126/4885MAPK3 951/4885

“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.