SCHEMBL9911564

SCHEMBL9911564

Cc1cccc(Nc2ncnc3cc(F)c(NC(=O)C=C4CCN(C(=O)OC(C)(C)C)CC4)cc23)c1

nearest known ligand 0.50

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MKNK1 Q9BUB5 4/20 0.50
EGFR P00533 11/20 0.48
ERBB2 P04626 2/20 0.45
EPHA2 P29317 2/20 0.44
ERBB3 P21860 1/20 0.40
DUS2 Q9NX74 1/20 0.40
GPR119 Q8TDV5 1/20 0.40
BRAF P15056 1/20 0.40
KDR P35968 1/20 0.40

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
SCHEMBL2946188 0.92 EPHA2 (0.53) MKNK1EGFRERBB2EPHA2ERBB3
SCHEMBL9911571 0.84 EGFR (0.52) EGFRERBB2ERBB3DUS2
SCHEMBL2948762 0.82 EPHA2 (0.63) MKNK1EGFRERBB2EPHA2KDR
SCHEMBL2944279 0.81 EPHA2 (0.56) EGFRERBB2EPHA2ERBB3KDR
SCHEMBL2943768 0.81 EGFR (0.66) EGFRERBB2ERBB3DUS2
SCHEMBL2950910 0.81 EGFR (0.63) EGFRERBB2EPHA2ERBB3
SCHEMBL2945204 0.80 EGFR (0.57) EGFRERBB2EPHA2KDR
SCHEMBL2947810 0.80 FYN (0.56) EGFRERBB2KDR
SCHEMBL2944553 0.79 EGFR (0.60) EGFRERBB2KDR
SCHEMBL2943778 0.79 EGFR (0.59) MKNK1EGFRERBB2EPHA2

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-8198301-B2 Quinazoline and quinoline derivatives as irreversibe protein tyrosine kinase inhibitors TIANJIN HEMAY ONCOLOGY PHARMACEUTICAL CO., LTD. (CN) 2012-06-12 US disclosed
US-20100240649-A1 QUINAZOLINE AND QUINOLINE DERIVATIVES AS IRREVERSIBLE PROTEIN TYROSINE KINASE INHIBITORS TIANJIN HEMAY ONCOLOGY PHARMACEUTICAL CO., LTD. (CN) 2010-09-23 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-20100240649-A1 QUINAZOLINE AND QUINOLINE DERIVATIVES AS IRREVERSIBLE PROTEIN TYROSINE KINASE INHIBITORS ABL1, MAP3K7, MAP3K5 MKNK1 156/4885EGFR 621/4885ERBB2 170/4885

“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.