SCHEMBL7127864

SCHEMBL7127864

O=C(C=CCSCCCN1CCOCC1)Oc1ccc2ncnc(N3CCc4ccc(Cl)cc43)c2c1

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
EGFR P00533 12/20 0.38
EPHX2 P34913 4/20 0.37
KDR P35968 3/20 0.36
BRAF P15056 1/20 0.36
CSF1R P07333 1/20 0.34
PDGFRB P09619 1/20 0.34
KIT P10721 1/20 0.34
FLT3 P36888 1/20 0.34
KLK7 P49862 1/20 0.34
AVPR1B P47901 1/20 0.34

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
SCHEMBL7117609 0.92 EGFR (0.38) EGFREPHX2KDRBRAFCSF1R
SCHEMBL7118103 0.88 EGFR (0.49) EGFREPHX2
SCHEMBL7118097 0.88 EGFR (0.49) EGFREPHX2
SCHEMBL7130779 0.85 EGFR (0.39) EGFREPHX2KDRBRAFPDGFRB
SCHEMBL7125390 0.84 EGFR (0.48) EGFR
SCHEMBL7127860 0.82 EGFR (0.38) EGFRKDRKLK7
SCHEMBL7127880 0.82 EGFR (0.38) EGFRKDRKLK7
SCHEMBL7117635 0.81 EGFR (0.40) EGFREPHX2KDRBRAFCSF1R
SCHEMBL7124608 0.78 EGFR (0.44) EGFRCSF1R
SCHEMBL7127871 0.78 EGFR (0.38) EGFRKDRKLK7

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 EGFR 26/4885EPHX2 1013/4885KDR 152/4885

“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.