SCHEMBL9929636

SCHEMBL9929636

CCOc1c(C(C)NC(=O)O)cc(C)c(C#N)c1-c1cncc(S(C)(=O)=O)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 2/20 0.47
PIK3C3 Q8NEB9 1/20 0.34
GPR55 Q9Y2T6 2/20 0.34
MAPK8 P45983 7/20 0.34
MAPK9 P45984 6/20 0.34
MAPK10 P53779 4/20 0.34
PRKD3 O94806 2/20 0.34
DYRK3 O43781 1/20 0.34
JUN P05412 1/20 0.34
CSF1R P07333 1/20 0.34
MAPK1 P28482 1/20 0.34
RPS27 P42677 1/20 0.34
PRKD2 Q9BZL6 1/20 0.34
KDM4E B2RXH2 1/20 0.33
MAPT P10636 1/20 0.33
KMT2A Q03164 1/20 0.33
PIK3CB P42338 2/20 0.33
PIK3CG P48736 2/20 0.33
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 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
SCHEMBL9928768 0.91 PIK3CD (0.54) PIK3CDPIK3C3GPR55MAPK8MAPK9
SCHEMBL9929127 0.86 PIK3CD (0.47) PIK3CDPIK3C3GPR55MAPK8MAPK9
Hydrochloric Acid SCHEMBL9929064 0.85 PIK3CD (0.46) PIK3CDPIK3C3GPR55MAPK8MAPK9
SCHEMBL17138387 0.85 PIK3CD (0.43) PIK3CDPIK3C3GPR55MAPK8MAPK9
SCHEMBL9953064 0.84 PIK3CD (0.40) PIK3CDPIK3C3MAPK8MAPK9MAPK10
SCHEMBL9929160 0.81 PIK3CD (0.44) PIK3CDPIK3C3GPR55PIK3CBPIK3CG
SCHEMBL9929003 0.80 PIK3CD (0.55) PIK3CDGPR55PIK3CBPIK3CG
Trifluoroacetic Acid SCHEMBL9928750 0.79 PIK3CD (0.50) PIK3CDPIK3CBPIK3CG
SCHEMBL9952178 0.77 PIK3CD (0.42) PIK3CDPIK3C3MAPK8MAPK9MAPK10
SCHEMBL14737059 0.76 PIK3CD (0.49) PIK3CD

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 10 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
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 (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 PIK3CD 2/4885PIK3C3 80/4885GPR55 1349/4885
US-20150284390-A1 N-(1-(SUBSTITUTED-PHENYL)ETHYL)-9H-PURIN-6-AMINES AS PI3K INHIBITORS PIK3CA, PIK3CD, PI4KB PIK3CD 2/4885PIK3C3 80/4885GPR55 1349/4885
US-20170158696-A1 N-(1-(SUBSTITUTED-PHENYL)ETHYL)-9H-PURIN-6-AMINES AS PI3K INHIBITORS PIK3CA, PIK3CD, PI4KB PIK3CD 2/4885PIK3C3 80/4885GPR55 1349/4885

“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.