SCHEMBL3132645

SCHEMBL3132645

COc1cc2ncnc(Cl)c2cc1OCC1CCN(C(=O)OC(C)(C)C)C1

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ EPHA2 P29317 6/20 0.55
▸ EPHB4 P54760 3/20 0.55
▸ ERBB2 P04626 1/20 0.55
▸ PIK3CD O00329 2/20 0.50
▸ PIK3CA P42336 2/20 0.50
▸ PIK3CB P42338 2/20 0.50
▸ PIK3CG P48736 2/20 0.50
▸ ENPP1 P22413 5/20 0.48
▸ KDR P35968 4/20 0.48
▸ NSD2 O96028 1/20 0.46
▸ EGFR P00533 2/20 0.45
▸ FGFR1 P11362 1/20 0.45
▸ FLT1 P17948 1/20 0.45
▸ FLT4 P35916 1/20 0.45
▸ MAPK1 P28482 1/20 0.45
▸ SRC P12931 1/20 0.44
▸ SCN9A Q15858 1/20 0.44

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
SCHEMBL17179600 0.95 EPHA2 (0.52) EPHA2EPHB4ERBB2PIK3CDPIK3CA
SCHEMBL664787 0.95 EPHA2 (0.52) EPHA2EPHB4ERBB2PIK3CDPIK3CA
SCHEMBL5214519 0.89 ENPP1 (0.52) EPHA2EPHB4ERBB2PIK3CDPIK3CA
SCHEMBL29834791 0.86 PIK3CD (0.62) EPHA2EPHB4ERBB2PIK3CDPIK3CA
SCHEMBL29834734 0.86 PIK3CD (0.62) EPHA2EPHB4ERBB2PIK3CDPIK3CA
SCHEMBL5430434 0.84 ENPP1 (0.54) EPHA2EPHB4ERBB2ENPP1KDR
SCHEMBL5568962 0.84 PIK3CD (0.49) PIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL5828984 0.84 EPHA2 (0.50) EPHA2EPHB4ERBB2PIK3CDPIK3CA
SCHEMBL2453138 0.84 PIK3CD (0.54) EPHA2EPHB4ERBB2PIK3CDPIK3CA
SCHEMBL665187 0.84 PIK3CD (0.54) EPHA2EPHB4ERBB2PIK3CDPIK3CA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8399667-B2 4-anilino quinazoline derivatives as antiproliferative agents ASTRAZENECA AB (GB) 2013-03-19 — — US disclosed
US-20130005727-A1 QUINAZOLINE DERIVATIVES ASTRAZENECA AB (SE) 2013-01-03 — — US disclosed
EP-1487806-B1 4-ANILINO QUINAZOLINE DERIVATIVES AS ANTIPROLIFERATIVE AGENTS ASTRAZENECA AB (SE) 2010-07-07 — — EP disclosed
US-20100152442-A1 4-ANILINO QUINAZOLINE DERIVATIVES AS ANTIPROLIFERATIVE AGENTS ASTRAZENECA AB 2010-06-17 — — US disclosed
US-20080269487-A1 4-ANILINO QUINAZOLINE DERIVATIVES AS ANTIPROLIFERATIVE AGENTS ASTRAZENECA AB 2008-10-30 — — US disclosed
US-20050215574-A1 4-anilino quinazoline derivatives as antiproliferative agents ASTRAZENECA AB (SE) 2005-09-29 — — US disclosed
EP-1487806-A1 4-ANILINO QUINAZOLINE DERIVATIVES AS ANTIPROLIFERATIVE AGENTS Astrazeneca AB (SE) 2004-12-22 — — EP disclosed
WO-2003082831-A1 4-ANILINO QUINAZOLINE DERIVATIVES AS ANTIPROLIFERATIVE AGENTS ASTRAZENECA AB (SE) 2003-10-09 — — 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 (4 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-20130005727-A1 QUINAZOLINE DERIVATIVES ABL1, ERBB2, EGFR EPHA2 564/4885EPHB4 1549/4885ERBB2 2/4885
US-20050215574-A1 4-anilino quinazoline derivatives as antiproliferative agents ERBB2, ERBB4, EGFR EPHA2 317/4885EPHB4 922/4885ERBB2 1/4885
US-20080269487-A1 4-ANILINO QUINAZOLINE DERIVATIVES AS ANTIPROLIFERATIVE AGENTS ERBB2, ERBB4, EGFR EPHA2 317/4885EPHB4 922/4885ERBB2 1/4885
US-20100152442-A1 4-ANILINO QUINAZOLINE DERIVATIVES AS ANTIPROLIFERATIVE AGENTS ERBB2, ERBB4, EGFR EPHA2 317/4885EPHB4 922/4885ERBB2 1/4885

“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.

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