SCHEMBL9952820

SCHEMBL9952820

CCOc1c(C(C)NC(=O)O)cc(Cl)c(C#N)c1Br

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.36
HTT P42858 2/20 0.36
POLB P06746 1/20 0.36
ALOX15 P16050 1/20 0.36
MAPK8 P45983 5/20 0.35
MAPK9 P45984 5/20 0.35
PRKD3 O94806 2/20 0.35
GPR35 Q9HC97 1/20 0.34
PIK3CD O00329 6/20 0.34
BRAF P15056 1/20 0.33
ALDH1A1 P00352 1/20 0.32
LMNA P02545 1/20 0.32
MAPT P10636 1/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
MAP4K4 O95819 1/20 0.32
MAPK10 P53779 1/20 0.32
MAP4K2 Q12851 1/20 0.32
PKN2 Q16513 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
SCHEMBL14736127 0.81 POLB (0.33) THRBHTTPOLBALOX15MAPK8
SCHEMBL14736116 0.80 THRB (0.34) THRBHTTPOLBALOX15MAPK8
SCHEMBL9952927 0.79 HTT (0.37) THRBHTTPOLBALOX15MAPK8
SCHEMBL9929220 0.79 LMNA (0.34) THRBHTTPOLBALOX15MAPK8
SCHEMBL9929078 0.78 HTT (0.34) THRBHTTPOLBALOX15MAPK8
SCHEMBL9952825 0.76 MAPK8 (0.36) THRBHTTPOLBALOX15MAPK8
SCHEMBL9929200 0.75 TSHR (0.39) THRBHTTPOLBALOX15MAPK8
SCHEMBL9928768 0.75 PIK3CD (0.54) MAPK8MAPK9PRKD3PIK3CDMAPT
SCHEMBL16945988 0.74 PIK3CD (0.53) PIK3CDMAP4K4
SCHEMBL28048048 0.73 KDM4E (0.43) THRBHTTPOLBALOX15ALDH1A1

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-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

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-20150284390-A1 N-(1-(SUBSTITUTED-PHENYL)ETHYL)-9H-PURIN-6-AMINES AS PI3K INHIBITORS PIK3CA, PIK3CD, PI4KB THRB 1916/4885HTT 2166/4885POLB 1091/4885
US-20170158696-A1 N-(1-(SUBSTITUTED-PHENYL)ETHYL)-9H-PURIN-6-AMINES AS PI3K INHIBITORS PIK3CA, PIK3CD, PI4KB THRB 1916/4885HTT 2166/4885POLB 1091/4885

“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.