SCHEMBL9911571

SCHEMBL9911571

Cc1cccc(Nc2ncnc3cc(F)c(NC(=O)C=C4CCNCC4)cc23)c1

nearest known ligand 0.52

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
EGFR P00533 17/20 0.52
ERBB2 P04626 6/20 0.52
MAPK1 P28482 1/20 0.45
HTT P42858 1/20 0.44
HIF1A Q16665 1/20 0.44
ERBB3 P21860 1/20 0.44
DUS2 Q9NX74 1/20 0.44

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
SCHEMBL9910678 0.90 FYN (0.48) EGFRERBB2ERBB3DUS2
SCHEMBL2943607 0.90 EGFR (0.52) EGFRERBB3DUS2
SCHEMBL9911468 0.85 EGFR (0.71) EGFRERBB2MAPK1
SCHEMBL7802729 0.84 EGFR (0.71) EGFRERBB2ERBB3DUS2
SCHEMBL9911564 0.84 MKNK1 (0.50) EGFRERBB2ERBB3DUS2
SCHEMBL7811790 0.82 EGFR (0.56) EGFRERBB2MAPK1HTTHIF1A
SCHEMBL9911451 0.81 EGFR (0.55) EGFRERBB2ERBB3DUS2
SCHEMBL9911501 0.81 EGFR (0.57) EGFRERBB2
SCHEMBL2948798 0.80 EGFR (0.51) EGFRERBB2ERBB3DUS2
SCHEMBL7809310 0.79 EGFR (0.59) EGFRERBB2MAPK1HTTHIF1A

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 3 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
US-20090105247-A1 QUINAZOLINE AND QUINOLINE DERIVATIVES AS IRREVERSIBLE PROTEIN TYROSINE KINASE INHIBITORS TIANJIN HEMAY ONCOLOGY PHARMACEUTICAL CO., LTD. (CN) 2009-04-23 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 (2 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-20090105247-A1 QUINAZOLINE AND QUINOLINE DERIVATIVES AS IRREVERSIBLE PROTEIN TYROSINE KINASE INHIBITORS ABL1, MAP3K7, MAP3K5 EGFR 621/4885ERBB2 170/4885MAPK1 92/4885
US-20100240649-A1 QUINAZOLINE AND QUINOLINE DERIVATIVES AS IRREVERSIBLE PROTEIN TYROSINE KINASE INHIBITORS ABL1, MAP3K7, MAP3K5 EGFR 621/4885ERBB2 170/4885MAPK1 92/4885

“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.