SCHEMBL9910679

SCHEMBL9910679

CCOCCN1CCC(=CC(=O)Nc2cc3c(Nc4cccc(Br)c4)ncnc3cc2OC)CC1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 18/20 0.63
ERBB2 P04626 2/20 0.60
KDR P35968 4/20 0.51
HDAC3 O15379 2/20 0.51
HDAC4 P56524 2/20 0.51
HDAC1 Q13547 2/20 0.51
HDAC7 Q8WUI4 2/20 0.51
HDAC2 Q92769 2/20 0.51
HDAC10 Q969S8 2/20 0.51
HDAC11 Q96DB2 2/20 0.51
HDAC8 Q9BY41 2/20 0.51
HDAC6 Q9UBN7 2/20 0.51
HDAC9 Q9UKV0 2/20 0.51
HDAC5 Q9UQL6 2/20 0.51
KDM4E B2RXH2 1/20 0.51
GAK O14976 1/20 0.51
MAPK13 O15264 1/20 0.51
ABL1 P00519 1/20 0.51
CYP1A2 P05177 1/20 0.51
CDK1 P06493 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
SCHEMBL2951295 0.94 EGFR (0.63) EGFRERBB2KDRHDAC3HDAC4
SCHEMBL2950790 0.92 EGFR (0.68) EGFRERBB2KDRHDAC3HDAC4
SCHEMBL2949644 0.91 EGFR (0.60) EGFRERBB2KDRHDAC3HDAC4
SCHEMBL2944878 0.91 EGFR (0.64) EGFRERBB2FBP1
SCHEMBL2944874 0.89 EGFR (0.64) EGFRERBB2KDRHDAC3HDAC4
SCHEMBL2947200 0.87 EGFR (0.62) EGFRERBB2FBP1
SCHEMBL2943226 0.86 EGFR (0.67) EGFRERBB2FBP1
SCHEMBL2942081 0.84 EGFR (0.63) EGFRERBB2KDRHDAC3HDAC4
SCHEMBL2949009 0.84 EGFR (0.68) EGFRERBB2KDRHDAC3HDAC4
SCHEMBL2949982 0.83 EGFR (0.70) EGFRERBB2KDRHDAC3HDAC4

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 4 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-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-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 170/4885KDR 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.