SCHEMBL9928964

SCHEMBL9928964

COc1c(C(C)NC(=O)O)cc(Cl)c(C)c1C(O)CNC(C)C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 6/20 0.39
ADRB1 P08588 4/20 0.39
ADRB3 P13945 3/20 0.38
SLC22A3 O75751 1/20 0.35
KDM4E B2RXH2 2/20 0.34
POLB P06746 2/20 0.34
MAPT P10636 2/20 0.34
BLM P54132 2/20 0.34
TDP1 Q9NUW8 2/20 0.34
TSHR P16473 2/20 0.34
HIF1A Q16665 2/20 0.34
MEN1 O00255 1/20 0.34
GAA P10253 1/20 0.34
KMT2A Q03164 1/20 0.34
RXFP1 Q9HBX9 1/20 0.34
LMNA P02545 1/20 0.34
TP53 P04637 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
ALOX15 P16050 1/20 0.34

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
SCHEMBL17138431 0.82 ADRB2 (0.37) ADRB2ADRB1ADRB3SLC22A3KDM4E
SCHEMBL17138393 0.79 NPC1 (0.31)
SCHEMBL9952238 0.78 ADRB2 (0.36) ADRB2ADRB1ADRB3SLC22A3KDM4E
SCHEMBL20816035 0.75 HSD17B10 (0.35) KDM4EMAPTGAACYP1A2CYP3A4
SCHEMBL9952471 0.75 HSD17B10 (0.35) KDM4EMAPTGAACYP1A2CYP3A4
SCHEMBL9952752 0.75 IMPDH2 (0.35) KDM4ETSHRGAAMAPK1HSD17B10
SCHEMBL9952989 0.70 PIK3CD (0.41) KDM4ETSHRGAAIMPDH2
SCHEMBL14736249 0.69 IMPDH2 (0.37) KDM4ETSHRMEN1GAAKMT2A
SCHEMBL16945978 0.69 PIK3CD (0.44) IMPDH2
SCHEMBL9929116 0.68 IMPDH2 (0.32) TSHRIMPDH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-20170158696-A1 N-(1-(SUBSTITUTED-PHENYL)ETHYL)-9H-PURIN-6-AMINES AS PI3K INHIBITORS INCYTE CORPORATION 2017-06-08 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 ADRB2 3021/4885ADRB1 1901/4885ADRB3 2040/4885
US-20170158696-A1 N-(1-(SUBSTITUTED-PHENYL)ETHYL)-9H-PURIN-6-AMINES AS PI3K INHIBITORS PIK3CA, PIK3CD, PI4KB ADRB2 3021/4885ADRB1 1901/4885ADRB3 2040/4885

“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.