SCHEMBL9940049

SCHEMBL9940049

COc1c([C@H](C)Nc2ncnc3c2ncn3C2CCCCO2)cc(Cl)c(C)c1C(O)CNC(C)C

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.42
HPGD P15428 1/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
CYP2C19 P33261 1/20 0.40
YTHDC1 Q96MU7 1/20 0.40
PIK3CD O00329 3/20 0.39
FLT3 P36888 1/20 0.38
TSHR P16473 1/20 0.38
TP53 P04637 1/20 0.36
CYP2C9 P11712 1/20 0.36
NFKB1 P19838 1/20 0.36
MAPK1 P28482 1/20 0.36
HSD17B10 Q99714 1/20 0.36
MEN1 O00255 1/20 0.36
ALDH1A1 P00352 1/20 0.36
APEX1 P27695 1/20 0.36
PI4KA P42356 1/20 0.36
BLM P54132 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
SCHEMBL9929010 1.00 CYP1A2 (0.42) CYP1A2HPGDNPC1RAB9ASMN1; SMN2
SCHEMBL9928875 0.85 CYP2C19 (0.46) CYP1A2HPGDNPC1RAB9ASMN1; SMN2
SCHEMBL9929235 0.85 CYP1A2 (0.45) CYP1A2HPGDNPC1RAB9ASMN1; SMN2
SCHEMBL9929172 0.85 PIK3CD (0.45) CYP1A2HPGDNPC1RAB9ASMN1; SMN2
SCHEMBL9929269 0.81 PIK3CD (0.47) CYP1A2HPGDNPC1RAB9ASMN1; SMN2
SCHEMBL9929386 0.80 CYP2C19 (0.46) CYP1A2HPGDNPC1RAB9ASMN1; SMN2
SCHEMBL9929577 0.80 PIK3CD (0.45) CYP1A2HPGDNPC1RAB9ASMN1; SMN2
SCHEMBL9929579 0.80 CYP1A2 (0.44) CYP1A2HPGDNPC1RAB9ASMN1; SMN2
SCHEMBL9929671 0.79 PIK3CD (0.45) CYP1A2HPGDNPC1RAB9ASMN1; SMN2
SCHEMBL9928881 0.79 CYP2C19 (0.48) CYP1A2HPGDNPC1RAB9ASMN1; SMN2

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 CYP1A2 4112/4885HPGD 2502/4885NPC1 1501/4885
US-20150284390-A1 N-(1-(SUBSTITUTED-PHENYL)ETHYL)-9H-PURIN-6-AMINES AS PI3K INHIBITORS PIK3CA, PIK3CD, PI4KB CYP1A2 4112/4885HPGD 2502/4885NPC1 1501/4885
US-20170158696-A1 N-(1-(SUBSTITUTED-PHENYL)ETHYL)-9H-PURIN-6-AMINES AS PI3K INHIBITORS PIK3CA, PIK3CD, PI4KB CYP1A2 4112/4885HPGD 2502/4885NPC1 1501/4885

“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.