SCHEMBL9911558

SCHEMBL9911558

COCCOc1cc2ncnc(Nc3ccc(OCc4cccc(F)c4)c(C)c3)c2cc1N

nearest known ligand 0.61

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
EGFR P00533 15/20 0.61
GAK O14976 1/20 0.61
KDR P35968 3/20 0.56
ERBB2 P04626 7/20 0.53
HDAC3 O15379 1/20 0.52
HDAC4 P56524 1/20 0.52
HDAC1 Q13547 1/20 0.52
HDAC7 Q8WUI4 1/20 0.52
HDAC2 Q92769 1/20 0.52
HDAC10 Q969S8 1/20 0.52
HDAC11 Q96DB2 1/20 0.52
HDAC8 Q9BY41 1/20 0.52
HDAC6 Q9UBN7 1/20 0.52
HDAC9 Q9UKV0 1/20 0.52
HDAC5 Q9UQL6 1/20 0.52
ERBB4 Q15303 1/20 0.52
FGFR1 P11362 1/20 0.51
FLT1 P17948 1/20 0.51

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
SCHEMBL12094749 0.96 EGFR (0.60) EGFRGAKKDRERBB2HDAC3
SCHEMBL13889772 0.91 EGFR (0.70) EGFRGAKKDRERBB2HDAC3
SCHEMBL4865102 0.91 EGFR (0.75) EGFRGAKERBB2HDAC3HDAC4
SCHEMBL13889686 0.88 EGFR (0.61) EGFRGAKKDRERBB2ERBB4
SCHEMBL9910683 0.87 EGFR (0.74) EGFRGAKERBB2HDAC3HDAC4
SCHEMBL12255288 0.84 EGFR (0.61) EGFRGAKERBB2ERBB4
SCHEMBL10081608 0.84 EGFR (0.62) EGFRKDRERBB2HDAC3HDAC4
SCHEMBL17538565 0.83 EGFR (0.70) EGFRGAKERBB2HDAC3HDAC4
SCHEMBL15928184 0.82 EGFR (0.72) EGFRGAKERBB2HDAC3HDAC4
SCHEMBL15928201 0.82 EGFR (0.72) EGFRGAKERBB2HDAC3HDAC4

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 621/4885GAK 390/4885KDR 957/4885

“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.