SCHEMBL9928867

SCHEMBL9928867

CCC(=O)c1cc(Cl)c(C)c(Br)c1OC

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.45
HMGCR P04035 1/20 0.41
ALDH1A1 P00352 3/20 0.39
HSD17B10 Q99714 1/20 0.37
HSP90AA1 P07900 1/20 0.37
IMPDH2 P12268 1/20 0.36
KDM4E B2RXH2 2/20 0.36
GAA P10253 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
HTT P42858 3/20 0.35
LMNA P02545 2/20 0.35
PTPN1 P18031 1/20 0.34
PPARG P37231 1/20 0.34
PPARA Q07869 1/20 0.34
DRD2 P14416 1/20 0.34
GPR35 Q9HC97 1/20 0.33
TPMT P51580 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
SCHEMBL9929296 0.83 HSD17B10 (0.40) ALDH1A1HSD17B10HSP90AA1IMPDH2KDM4E
SCHEMBL9929857 0.80 KDM4E (0.41) HMGCRALDH1A1HSD17B10KDM4EMEN1
SCHEMBL28114028 0.74 HMGCR (0.41) L3MBTL1HMGCRALDH1A1HSD17B10HSP90AA1
SCHEMBL9720581 0.73 ALDH1A1 (0.49) L3MBTL1HMGCRALDH1A1KDM4EGAA
SCHEMBL27803206 0.73 HMGCR (0.51) L3MBTL1HMGCRALDH1A1HSD17B10KDM4E
SCHEMBL11041574 0.73 HSD17B10 (0.65) L3MBTL1HMGCRALDH1A1HSD17B10KDM4E
SCHEMBL14736146 0.73 TSHR (0.42) ALDH1A1HSD17B10KDM4EGAAMEN1
SCHEMBL9953040 0.73 IMPDH2 (0.45) ALDH1A1HSD17B10HSP90AA1IMPDH2KDM4E
SCHEMBL27803198 0.73 HMGCR (0.51) HMGCRALDH1A1HSP90AA1KDM4EGAA
SCHEMBL10995824 0.72 HSD17B10 (0.46) L3MBTL1HMGCRALDH1A1HSD17B10KDM4E

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 L3MBTL1 3068/4885HMGCR 4805/4885ALDH1A1 3828/4885
US-20150284390-A1 N-(1-(SUBSTITUTED-PHENYL)ETHYL)-9H-PURIN-6-AMINES AS PI3K INHIBITORS PIK3CA, PIK3CD, PI4KB L3MBTL1 3068/4885HMGCR 4805/4885ALDH1A1 3828/4885
US-20170158696-A1 N-(1-(SUBSTITUTED-PHENYL)ETHYL)-9H-PURIN-6-AMINES AS PI3K INHIBITORS PIK3CA, PIK3CD, PI4KB L3MBTL1 3068/4885HMGCR 4805/4885ALDH1A1 3828/4885

“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.