SCHEMBL9928820

SCHEMBL9928820

COc1ncc(-c2c(C)c(Cl)c(F)c(C(C)Nc3ncnc4[nH]cnc34)c2-c2cccc(F)c2)cn1

nearest known ligand 0.44

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 17/20 0.44
AXL P30530 2/20 0.43
MERTK Q12866 2/20 0.43
PIK3CG P48736 3/20 0.38
MAP4K4 O95819 1/20 0.37
PIK3R1 P27986 1/20 0.37
PIK3CB P42338 1/20 0.37
BCL2 P10415 1/20 0.36

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
SCHEMBL21486180 0.91 PIK3CD (0.44) PIK3CDAXLMERTKPIK3CGMAP4K4
SCHEMBL9960561 0.88 PIK3CD (0.45) PIK3CDAXLMERTKPIK3CGMAP4K4
SCHEMBL9958714 0.86 PIK3CD (0.44) PIK3CDAXLMERTKPIK3CGMAP4K4
Trifluoroacetic Acid SCHEMBL21486179 0.82 PIK3CD (0.41) PIK3CDAXLMERTKPIK3CGMAP4K4
SCHEMBL9929119 0.79 PIK3CD (0.50) PIK3CDAXLMERTKPIK3CGBCL2
SCHEMBL9928959 0.78 PIK3CD (0.49) PIK3CDAXLMERTKPIK3CGPIK3CB
SCHEMBL9929153 0.78 PIK3CD (0.55) PIK3CDAXLMERTKPIK3CGMAP4K4
SCHEMBL21986424 0.77 PIK3CD (0.41) PIK3CDAXLMERTKPIK3CGMAP4K4
SCHEMBL9928808 0.77 PIK3CD (0.59) PIK3CDAXLMERTKPIK3CGMAP4K4
SCHEMBL9960540 0.76 PIK3CD (0.47) PIK3CDAXLMERTKPIK3CGMAP4K4

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
EP-2655374-A1 N-(1-(SUBSTITUTED-PHENYL)ETHYL)-9H-PURIN-6-AMINES AS PI3K INHIBITORS Incyte Corporation (US) 2013-10-30 EP claimed
WO-2012087881-A1 N-(1-(SUBSTITUTED-PHENYL)ETHYL)-9H-PURIN-6-AMINES AS PI3K INHIBITORS INCYTE CORPORATION (US) 2012-06-28 WO claimed
US-9096600-B2 N-(1-(substituted-phenyl)ethyl)-9H-purin-6-amines as PI3K inhibitors INCYTE CORPORATION (US) 2015-08-04 US disclosed
EP-2655374-A1 N-(1-(SUBSTITUTED-PHENYL)ETHYL)-9H-PURIN-6-AMINES AS PI3K INHIBITORS Incyte Corporation (US) 2013-10-30 EP disclosed
WO-2012087881-A1 N-(1-(SUBSTITUTED-PHENYL)ETHYL)-9H-PURIN-6-AMINES AS PI3K INHIBITORS INCYTE CORPORATION (US) 2012-06-28 WO disclosed
US-20120157430-A1 N-(1-(SUBSTITUTED-PHENYL)ETHYL)-9H-PURIN-6-AMINES AS PI3K INHIBITORS INCYTE CORPORATION 2012-06-21 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-20120157430-A1 N-(1-(SUBSTITUTED-PHENYL)ETHYL)-9H-PURIN-6-AMINES AS PI3K INHIBITORS PIK3CA, PIK3CD, PI4KB PIK3CD 2/4885AXL 1575/4885MERTK 888/4885

“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.