SCHEMBL6642372

SCHEMBL6642372

N#Cc1cnc2ncc([N+](=O)[O-])cc2c1Nc1ccc(F)c(Cl)c1

nearest known ligand 0.61

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
EGFR P00533 7/20 0.61
ERBB2 P04626 2/20 0.55
MAP3K8 P41279 14/20 0.53
CYP3A4 P08684 1/20 0.49
MAPKAPK2 P49137 1/20 0.49

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
SCHEMBL4964463 0.87 MAP3K8 (0.59) EGFRERBB2MAP3K8CYP3A4MAPKAPK2
SCHEMBL1895808 0.87 MAP3K8 (0.62) EGFRERBB2MAP3K8
SCHEMBL4960605 0.87 MAP3K8 (0.65) EGFRERBB2MAP3K8CYP3A4MAPKAPK2
SCHEMBL4960545 0.84 MAP3K8 (0.59) EGFRERBB2MAP3K8CYP3A4MAPKAPK2
SCHEMBL4960791 0.84 MAP3K8 (0.57) EGFRERBB2MAP3K8CYP3A4MAPKAPK2
SCHEMBL4962214 0.83 MAP3K8 (0.60) EGFRERBB2MAP3K8CYP3A4MAPKAPK2
SCHEMBL4959780 0.82 EGFR (0.64) EGFRERBB2MAP3K8CYP3A4MAPKAPK2
SCHEMBL4961376 0.82 MAP3K8 (0.54) EGFRERBB2MAP3K8CYP3A4MAPKAPK2
SCHEMBL6642578 0.82 EGFR (0.66) EGFRERBB2MAP3K8
SCHEMBL6071454 0.81 MAP3K8 (0.54) EGFRERBB2MAP3K8CYP3A4MAPKAPK2

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-1171440-B1 SUBSTITUTED-3-CYANO-[1.7],[1.5], AND [1.8]-NAPHTHYRIDINE INHIBITORS OF TYROSINE KINASES WYETH CORP (US) 2004-04-14 EP disclosed
US-6548496-B2 Anticancer agents AMERICAN CYANAMID COMPANY 2003-04-15 US disclosed
US-20020165229-A1 Substituted 3-cyano-[1.7], [1.5], and [1.8] naphthyridine inhibitors of tyrosine kinases AMERICAN CYANAMID COMPANY 2002-11-07 US disclosed
US-6355636-B1 ENZYME INHIBITORS AMERICAN CYANAMID COMPANY 2002-03-12 US disclosed
EP-1171440-A1 SUBSTITUTED-3-CYANO-[1.7],[1.5], AND [1.8]-NAPHTHYRIDINE INHIBITORS OF TYROSINE KINASES American Cyanamid Company (US) 2002-01-16 EP disclosed
WO-2000066583-A1 SUBSTITUTED 3-CYANO-[1.7], [1.5], AND [1.8]-NAPHTHYRIDINE INHIBITORS OF TYROSINE KINASES AMERICAN CYANAMID COMPANY (US) 2000-11-09 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-20020165229-A1 Substituted 3-cyano-[1.7], [1.5], and [1.8] naphthyridine inhibitors of tyrosine kinases ABL1, ROS1, ALK EGFR 14/4885ERBB2 4/4885MAP3K8 67/4885

“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.