SCHEMBL7126660

SCHEMBL7126660

O=C(O)C=Cc1ccc2c(Nc3ccc4[nH]cnc4c3)ncnc2c1

nearest known ligand 0.45

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
FBP1 P09467 1/20 0.45
EPHB2 P29323 1/20 0.45
MKNK1 Q9BUB5 1/20 0.45
ABCG2 Q9UNQ0 6/20 0.43
EGFR P00533 10/20 0.43
HDAC1 Q13547 3/20 0.42
ABCB1 P08183 5/20 0.42
ERBB2 P04626 1/20 0.42
HDAC3 O15379 2/20 0.41
HDAC6 Q9UBN7 2/20 0.41

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
SCHEMBL7128556 0.92 EGFR (0.47) FBP1EPHB2MKNK1ABCG2EGFR
SCHEMBL7127863 0.85 EGFR (0.57) ABCG2EGFRABCB1ERBB2
SCHEMBL7126655 0.78 FBP1 (0.46) FBP1EPHB2MKNK1EGFRERBB2
SCHEMBL7241075 0.78 KDR (0.61) EPHB2ABCG2EGFRABCB1ERBB2
SCHEMBL7127191 0.77 EGFR (0.65) EGFRERBB2
SCHEMBL7237992 0.74 EGFR (0.44) ABCG2EGFRHDAC1ABCB1ERBB2
SCHEMBL7241725 0.74 EGFR (0.63) ABCG2EGFRABCB1ERBB2
SCHEMBL7128163 0.72 EGFR (0.55) EPHB2MKNK1ABCG2EGFRHDAC1
SCHEMBL7128555 0.72 EGFR (0.47) FBP1EPHB2MKNK1EGFRERBB2
SCHEMBL8489713 0.72 EGFR (0.60) EPHB2ABCG2EGFRABCB1ERBB2

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030087881-A1 Irreversible inhibitors of tyrosine kinases BRIDGES ALEXANDER JAMES (US) 2003-05-08 US claimed
US-6153617-A Irreversible bicyclic inhibitors of tyrosine kinases WARNER-LAMBERT COMPANY (US) 2000-11-28 US claimed
WO-1999006396-A1 IRREVERSIBLE BICYCLIC INHIBITORS OF TYROSINE KINASES WARNER-LAMBERT COMPANY (US) 1999-02-11 WO claimed
US-20030087881-A1 Irreversible inhibitors of tyrosine kinases BRIDGES ALEXANDER JAMES (US) 2003-05-08 US disclosed
US-6153617-A Irreversible bicyclic inhibitors of tyrosine kinases WARNER-LAMBERT COMPANY (US) 2000-11-28 US disclosed
WO-1999006396-A1 IRREVERSIBLE BICYCLIC INHIBITORS OF TYROSINE KINASES WARNER-LAMBERT COMPANY (US) 1999-02-11 WO 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-20030087881-A1 Irreversible inhibitors of tyrosine kinases ERBB2, ERBB3, LCK FBP1 4232/4885EPHB2 320/4885MKNK1 196/4885

“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.