SCHEMBL1988286

SCHEMBL1988286

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

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 2/20 0.43
PIK3CA P42336 2/20 0.43
PIK3CB P42338 2/20 0.43
PIK3CG P48736 2/20 0.43
ERBB2 P04626 8/20 0.41
EPHA2 P29317 1/20 0.41
KDR P35968 1/20 0.41
EPHB4 P54760 1/20 0.41
BRAF P15056 1/20 0.41
EGFR P00533 12/20 0.41
PDE10A Q9Y233 1/20 0.40
PDE4A P27815 1/20 0.40
PDE4B Q07343 1/20 0.40
PDE4C Q08493 1/20 0.40
PDE4D Q08499 1/20 0.40
ENPP1 P22413 1/20 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
SCHEMBL1991401 1.00 PIK3CD (0.43) PIK3CDPIK3CAPIK3CBPIK3CGERBB2
SCHEMBL5458764 0.92 ERBB2 (0.44) PIK3CDPIK3CAPIK3CBPIK3CGERBB2
SCHEMBL5466136 0.92 ERBB2 (0.44) PIK3CDPIK3CAPIK3CBPIK3CGERBB2
SCHEMBL2453138 0.83 PIK3CD (0.54) PIK3CDPIK3CAPIK3CBPIK3CGERBB2
SCHEMBL665187 0.83 PIK3CD (0.54) PIK3CDPIK3CAPIK3CBPIK3CGERBB2
SCHEMBL29465791 0.83 PIK3CD (0.54) PIK3CDPIK3CAPIK3CBPIK3CGERBB2
SCHEMBL29465790 0.83 PIK3CD (0.54) PIK3CDPIK3CAPIK3CBPIK3CGERBB2
SCHEMBL1989563 0.83 EGFR (0.64) ERBB2EPHA2EPHB4EGFR
SCHEMBL1986916 0.83 EGFR (0.64) ERBB2EPHA2EPHB4EGFR
SCHEMBL29834734 0.82 PIK3CD (0.62) PIK3CDPIK3CAPIK3CBPIK3CGERBB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1856095-B1 QUINAZOLINE DERIVATIVES AS TYROSINE KINASE INHIBITORS ASTRAZENECA AB (SE) 2011-08-24 EP disclosed
US-20110152297-A1 QUINAZOLINE DERIVATIVES AS TYROSINE KINASE INHIBITORS Astra Zeneca AB Corporation 2011-06-23 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-20110152297-A1 QUINAZOLINE DERIVATIVES AS TYROSINE KINASE INHIBITORS ERBB2, ABL1, EGFR PIK3CD 264/4885PIK3CA 216/4885PIK3CB 376/4885

“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.