SCHEMBL17680443

SCHEMBL17680443

Cc1cc(F)c([N+](=O)[O-])cc1Nc1nccc(-n2cc(C=O)c(C)n2)n1

nearest known ligand 0.35

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SYK P43405 15/20 0.35
KCNH2 Q12809 5/20 0.33
KDR P35968 3/20 0.32
ZAP70 P43403 1/20 0.32
LCK P06239 2/20 0.32
ALDH1A1 P00352 1/20 0.31
CDK4 P11802 1/20 0.31
CDK2 P24941 1/20 0.31

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
SCHEMBL31030279 0.90 EGFR (0.37) SYKKCNH2KDRALDH1A1
SCHEMBL17670296 0.90 EGFR (0.37) SYKKCNH2KDRALDH1A1
SCHEMBL30385022 0.87 CDK4 (0.40) SYKKCNH2KDRZAP70ALDH1A1
SCHEMBL17670192 0.87 CDK4 (0.40) SYKKCNH2KDRZAP70ALDH1A1
SCHEMBL17680441 0.84 ALDH1A1 (0.38) SYKKDRLCKALDH1A1
SCHEMBL17680434 0.84 ALDH1A1 (0.49) SYKKDRLCKALDH1A1CDK4
SCHEMBL17670256 0.81 CDK4 (0.39) SYKKDRALDH1A1CDK4CDK2
SCHEMBL30384501 0.81 CDK4 (0.39) SYKKDRALDH1A1CDK4CDK2
SCHEMBL17670292 0.80 EGFR (0.36) KDRALDH1A1
SCHEMBL17670302 0.79 EGFR (0.39) KDR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9593098-B2 Compounds and compositions for modulating EGFR mutant kinase activities YUHAN CORPORATION (KR) 2017-03-14 US disclosed
US-20160102076-A1 COMPOUNDS AND COMPOSITIONS FOR MODULATING EGFR MUTANT KINASE ACTIVITIES YUHAN CORPORATION 2016-04-14 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-20160102076-A1 COMPOUNDS AND COMPOSITIONS FOR MODULATING EGFR MUTANT KINASE ACTIVITIES EGFR, ERBB2, ERBB3 SYK 337/4885KCNH2 3960/4885KDR 497/4885

“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.