SCHEMBL9911468

SCHEMBL9911468

Cc1cccc(Nc2ncnc3ccc(NC(=O)C=C4CCNCC4)cc23)c1

nearest known ligand 0.71

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
EGFR P00533 18/20 0.71
ERBB2 P04626 11/20 0.71
FYN P06241 2/20 0.55
SRC P12931 2/20 0.55
BLK P51451 1/20 0.55
BMX P51813 1/20 0.55
JAK3 P52333 1/20 0.55
BTK Q06187 1/20 0.55
ERBB4 Q15303 1/20 0.55
MAPK1 P28482 1/20 0.53

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
SCHEMBL2948341 0.89 FYN (0.68) EGFRERBB2FYNSRCBLK
SCHEMBL2948741 0.89 EGFR (0.71) EGFRERBB2
SCHEMBL2951755 0.89 EGFR (0.71) EGFRERBB2FYNSRCBLK
SCHEMBL2950374 0.86 EGFR (0.67) EGFRERBB2FYNSRCBLK
SCHEMBL9911571 0.85 EGFR (0.52) EGFRERBB2MAPK1
SCHEMBL2943431 0.84 EGFR (0.67) EGFRERBB2FYNSRCBLK
SCHEMBL2943432 0.84 EGFR (0.67) EGFRERBB2FYNSRCBLK
SCHEMBL2991796 0.83 EGFR (1.00) EGFRERBB2FYNSRCBLK
SCHEMBL2946862 0.82 EGFR (0.71) EGFRERBB2ERBB4
SCHEMBL2946157 0.81 EGFR (0.73) EGFRERBB2FYNSRCBLK

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 170/4885FYN 122/4885
US-20100240649-A1 QUINAZOLINE AND QUINOLINE DERIVATIVES AS IRREVERSIBLE PROTEIN TYROSINE KINASE INHIBITORS ABL1, MAP3K7, MAP3K5 EGFR 621/4885ERBB2 170/4885FYN 122/4885

“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.