SCHEMBL9911477

SCHEMBL9911477

Cc1cc(Nc2c(C#N)cnc3ccc(NC(=O)C=C4CCNCC4)cc23)ccc1F

nearest known ligand 0.56

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
EGFR P00533 14/20 0.56
ERBB2 P04626 11/20 0.56
MAP3K8 P41279 5/20 0.52
LRRK2 Q5S007 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
SCHEMBL9911608 0.91 EGFR (0.56) EGFRERBB2MAP3K8
SCHEMBL3596737 0.90 EGFR (0.67) EGFRERBB2MAP3K8
SCHEMBL9911364 0.85 EGFR (0.65) EGFRERBB2
SCHEMBL12094751 0.84 EGFR (0.60) EGFRERBB2
SCHEMBL9911478 0.84 EGFR (0.59) EGFRERBB2MAP3K8LRRK2
SCHEMBL3600734 0.84 EGFR (0.73) EGFRERBB2
SCHEMBL12094785 0.84 EGFR (0.55) EGFRERBB2
SCHEMBL3593010 0.83 EGFR (0.58) EGFRERBB2MAP3K8
SCHEMBL9911614 0.82 STK4 (0.57) EGFRERBB2
SCHEMBL3588025 0.82 EGFR (0.67) EGFRERBB2MAP3K8

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 EGFR 621/4885ERBB2 170/4885MAP3K8 19/4885

“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.