SCHEMBL9928787

SCHEMBL9928787

CCOc1c(C(C)=O)cc(Cl)c(F)c1-c1cncc(S(C)(=O)=O)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3C3 Q8NEB9 1/20 0.38
PIK3CD O00329 3/20 0.35
CYP2C9 P11712 1/20 0.35
PIK3CG P48736 4/20 0.35
PIK3CB P42338 2/20 0.35
GPR55 Q9Y2T6 2/20 0.34
PTGS2 P35354 2/20 0.33
PTGDR2 Q9Y5Y4 1/20 0.33
KAT8 Q9H7Z6 1/20 0.33
CYP11B2 P19099 1/20 0.33
PIK3CA P42336 1/20 0.32
PDE4D Q08499 1/20 0.32
KDM1A O60341 1/20 0.32
NPC1 O15118 1/20 0.32
ALDH1A1 P00352 1/20 0.32
TP53 P04637 1/20 0.32
MAPT P10636 1/20 0.32
XBP1 P17861 1/20 0.32
MAPK1 P28482 1/20 0.32
HTT P42858 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
SCHEMBL9929002 0.82 PIK3C3 (0.40) PIK3C3PIK3CDCYP2C9PIK3CGPIK3CB
SCHEMBL9929356 0.81 PIK3CD (0.42) PIK3C3PIK3CDCYP2C9PIK3CGPIK3CB
SCHEMBL19571043 0.81 PIK3CD (0.39) PIK3C3PIK3CDCYP2C9PIK3CGPIK3CB
SCHEMBL9929160 0.81 PIK3CD (0.44) PIK3C3PIK3CDCYP2C9PIK3CGPIK3CB
Hydrochloric Acid SCHEMBL9928961 0.80 PIK3CD (0.42) PIK3C3PIK3CDCYP2C9PIK3CGPIK3CB
SCHEMBL9952024 0.80 PIK3CD (0.37) PIK3C3PIK3CDCYP2C9PIK3CGPIK3CB
Hydrochloric Acid SCHEMBL9953058 0.80 PIK3CD (0.36) PIK3C3PIK3CDCYP2C9PIK3CGPIK3CB
SCHEMBL12813245 0.78 PIK3CD (0.38) PIK3C3PIK3CDPIK3CGPIK3CBPTGS2
SCHEMBL9952882 0.78 PIK3CD (0.36) PIK3C3PIK3CDCYP2C9GPR55PTGDR2
SCHEMBL12813030 0.76 PIK3CD (0.49) PIK3C3PIK3CDPIK3CGPIK3CBPTGS2

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
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-20170158696-A1 N-(1-(SUBSTITUTED-PHENYL)ETHYL)-9H-PURIN-6-AMINES AS PI3K INHIBITORS INCYTE CORPORATION 2017-06-08 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
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 (3 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 PIK3C3 80/4885PIK3CD 2/4885CYP2C9 4374/4885
US-20150284390-A1 N-(1-(SUBSTITUTED-PHENYL)ETHYL)-9H-PURIN-6-AMINES AS PI3K INHIBITORS PIK3CA, PIK3CD, PI4KB PIK3C3 80/4885PIK3CD 2/4885CYP2C9 4374/4885
US-20170158696-A1 N-(1-(SUBSTITUTED-PHENYL)ETHYL)-9H-PURIN-6-AMINES AS PI3K INHIBITORS PIK3CA, PIK3CD, PI4KB PIK3C3 80/4885PIK3CD 2/4885CYP2C9 4374/4885

“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.