SCHEMBL7124567

SCHEMBL7124567

Cc1cc2cc(Nc3ncnc4ccc(OC(=O)C=CCSCCCN5CCOCC5)cc34)ccc2[nH]1

nearest known ligand 0.47

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ERBB2 P04626 3/20 0.47
EGFR P00533 15/20 0.46
SRC P12931 1/20 0.43
KDR P35968 4/20 0.42
BRAF P15056 2/20 0.42
AURKA O14965 2/20 0.41
AURKB Q96GD4 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
SCHEMBL7122286 0.89 EGFR (0.47) ERBB2EGFRSRCKDRBRAF
SCHEMBL7243231 0.85 AURKA (0.52) ERBB2EGFRSRCKDRBRAF
SCHEMBL7124564 0.83 EGFR (0.46) ERBB2EGFRSRCKDRBRAF
SCHEMBL7124584 0.83 EGFR (0.46) ERBB2EGFRSRCKDRBRAF
SCHEMBL7241596 0.82 EGFR (0.57) ERBB2EGFRSRCKDRAURKA
SCHEMBL7236730 0.79 EGFR (0.50) ERBB2EGFRSRCKDRBRAF
SCHEMBL7124574 0.79 EGFR (0.46) ERBB2EGFRSRCKDRAURKA
SCHEMBL7122190 0.78 EGFR (0.57) ERBB2EGFR
SCHEMBL7122189 0.78 EGFR (0.57) ERBB2EGFR
SCHEMBL7240179 0.76 EGFR (0.57) ERBB2EGFRSRCKDRBRAF

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 ERBB2 1/4885EGFR 26/4885SRC 8/4885

“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.