SCHEMBL5466136

SCHEMBL5466136

COc1cc2ncnc(Cl)c2cc1O[C@@H]1CN(C(=O)OC(C)(C)C)[C@](C)(C(=O)O)C1

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ERBB2 P04626 8/20 0.44
EPHA2 P29317 5/20 0.44
EPHB4 P54760 3/20 0.44
KDR P35968 2/20 0.44
ENPP1 P22413 2/20 0.41
PIK3CD O00329 2/20 0.40
PIK3CA P42336 2/20 0.40
PIK3CB P42338 2/20 0.40
PIK3CG P48736 2/20 0.40
FLT1 P17948 1/20 0.40
BRAF P15056 1/20 0.39
EGFR P00533 10/20 0.39

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
SCHEMBL5458764 1.00 ERBB2 (0.44) ERBB2EPHA2EPHB4KDRENPP1
SCHEMBL1991401 0.92 PIK3CD (0.43) ERBB2EPHA2EPHB4KDRENPP1
SCHEMBL1988286 0.92 PIK3CD (0.43) ERBB2EPHA2EPHB4KDRENPP1
SCHEMBL29465805 0.82 PIK3CD (0.51) ERBB2EPHA2EPHB4ENPP1PIK3CD
SCHEMBL22598590 0.82 PIK3CD (0.51) ERBB2EPHA2EPHB4ENPP1PIK3CD
SCHEMBL17179572 0.82 ERBB2 (0.49) ERBB2EPHA2EPHB4KDRENPP1
SCHEMBL28835268 0.82 ERBB2 (0.49) ERBB2EPHA2EPHB4KDRENPP1
SCHEMBL28835269 0.82 ERBB2 (0.49) ERBB2EPHA2EPHB4KDRENPP1
SCHEMBL29834754 0.80 EHMT2 (0.49) ERBB2EPHA2EPHB4KDRENPP1
SCHEMBL29834791 0.79 PIK3CD (0.62) ERBB2EPHA2EPHB4PIK3CDPIK3CA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070043010-A1 Quinazoline derivatives ASTRAZENECA UK LIMITED (GB) 2007-02-22 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-20070043010-A1 Quinazoline derivatives ERBB2, ABL1, EGFR ERBB2 1/4885EPHA2 635/4885EPHB4 1494/4885

“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.