SCHEMBL9929857

SCHEMBL9929857

CCC(=O)c1cc(Cl)c(C)c(Br)c1O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.41
MAPT P10636 2/20 0.41
UBE2N P61088 1/20 0.41
HSD17B10 Q99714 1/20 0.41
HSP90AB1 P08238 1/20 0.39
PPARG P37231 1/20 0.38
PPARA Q07869 1/20 0.38
HMGCR P04035 1/20 0.37
CYP3A4 P08684 2/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
PTGS1 P23219 1/20 0.34
DRD3 P35462 1/20 0.34
TSHR P16473 1/20 0.34
SHBG P04278 1/20 0.33
POLB P06746 1/20 0.33
GPR35 Q9HC97 1/20 0.33
TP53 P04637 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33

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
SCHEMBL2011953 0.81 MEN1 (0.37) KDM4EMAPTHSD17B10CYP3A4MEN1
SCHEMBL9928867 0.80 L3MBTL1 (0.45) KDM4EHSD17B10PPARGPPARAHMGCR
SCHEMBL28114035 0.80 PPARG (0.39) KDM4EMAPTUBE2NHSD17B10HSP90AB1
SCHEMBL27833587 0.79 HSP90AB1 (0.41) KDM4EMAPTUBE2NHSD17B10HSP90AB1
SCHEMBL17210813 0.77 KDM4E (0.44) KDM4EMAPTUBE2NHSD17B10HSP90AB1
SCHEMBL28056380 0.75 HSP90AB1 (0.43) KDM4EMAPTUBE2NHSD17B10HSP90AB1
SCHEMBL22047603 0.75 CYP2C9 (0.36) KDM4EMAPTHSD17B10CYP3A4MEN1
SCHEMBL28693860 0.75 HSP90AB1 (0.43) KDM4EMAPTUBE2NHSD17B10HSP90AB1
SCHEMBL11537689 0.72 AKR1C4 (0.60) KDM4EMAPTHSD17B10HSP90AB1HMGCR
SCHEMBL11708450 0.72 AKR1C4 (0.60) KDM4EMAPTHSD17B10HSP90AB1HMGCR

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 KDM4E 1582/4885MAPT 3765/4885UBE2N 1744/4885
US-20150284390-A1 N-(1-(SUBSTITUTED-PHENYL)ETHYL)-9H-PURIN-6-AMINES AS PI3K INHIBITORS PIK3CA, PIK3CD, PI4KB KDM4E 1582/4885MAPT 3765/4885UBE2N 1744/4885
US-20170158696-A1 N-(1-(SUBSTITUTED-PHENYL)ETHYL)-9H-PURIN-6-AMINES AS PI3K INHIBITORS PIK3CA, PIK3CD, PI4KB KDM4E 1582/4885MAPT 3765/4885UBE2N 1744/4885

“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.