SCHEMBL9929033

SCHEMBL9929033

Cc1c(Cl)cc(C(C)Nc2ncnc3c2ncn3OC(=O)C(F)(F)F)c(-c2cccc(F)c2)c1-c1cn[nH]c1

nearest known ligand 0.48

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 17/20 0.48
AXL P30530 2/20 0.42
MERTK Q12866 2/20 0.42
BCL2 P10415 1/20 0.37
PIK3CG P48736 3/20 0.35
PIK3R1 P27986 1/20 0.34
PIK3CB P42338 1/20 0.34
CDK9 P50750 1/20 0.32

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
SCHEMBL9928930 0.86 PIK3CD (0.43) PIK3CDAXLMERTKBCL2PIK3CG
Trifluoroacetic Acid SCHEMBL9929031 0.82 PIK3CD (0.53) PIK3CDAXLMERTKBCL2PIK3CG
SCHEMBL9928808 0.79 PIK3CD (0.59) PIK3CDAXLMERTKBCL2PIK3CG
SCHEMBL2163716 0.78 PIK3CD (0.43) PIK3CDAXLMERTKBCL2PIK3CG
SCHEMBL2163353 0.77 PIK3CD (0.40) PIK3CDAXLMERTKBCL2PIK3CG
SCHEMBL2165865 0.74 PIK3CD (0.47) PIK3CDBCL2
SCHEMBL9929552 0.72 PIK3CD (0.41) PIK3CD
SCHEMBL2017686 0.72 PIK3CD (0.58) PIK3CDAXLMERTKBCL2PIK3CG
SCHEMBL2164726 0.72 PIK3CD (0.58) PIK3CDAXLMERTKBCL2PIK3CG
SCHEMBL9999320 0.71 PIK3CD (0.39) PIK3CDPIK3CGPIK3R1PIK3CB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3660016-A1 N-(1-(SUBSTITUTED-PHENYL)ETHYL)-9H-PURIN-6-AMINES AS PI3K INHIBITORS Incyte Holdings Corporation (US) 2020-06-03 EP disclosed
EP-2655374-B1 N-(1-(SUBSTITUTED-PHENYL)ETHYL)-9H-PURIN-6-AMINES AS PI3K INHIBITORS INCYTE HOLDINGS CORP (US) 2019-10-23 EP disclosed
US-9815839-B2 N-(1-(substituted-phenyl)ethyl)-9H-purin-6-amines as PI3K inhibitors INCYTE CORPORATION (US) 2017-11-14 US disclosed
US-9527848-B2 N-(1-(substituted-phenyl)ethyl)-9H-purin-6-amines as PI3K inhibitors INCYTE HOLDINGS CORPORATION (US) 2016-12-27 US disclosed
US-20150284390-A1 N-(1-(SUBSTITUTED-PHENYL)ETHYL)-9H-PURIN-6-AMINES AS PI3K INHIBITORS INCYTE CORPORATION (US) 2015-10-08 US disclosed
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 (2 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
US-20150284390-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.