SCHEMBL9929704

SCHEMBL9929704

CC(=O)c1cc(Cl)c(C)c(N(C(=O)O)C(=O)O)c1-c1cccc(F)c1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 3/20 0.35
TRPM8 Q7Z2W7 1/20 0.35
FABP3 P05413 1/20 0.35
FABP4 P15090 1/20 0.35
P2RX7 Q99572 1/20 0.35
DCLRE1B Q9H816 1/20 0.34
ALDH1A1 P00352 1/20 0.34
KMT2A Q03164 1/20 0.34
NR4A1 P22736 1/20 0.33
NR4A2 P43354 1/20 0.33
NR4A3 Q92570 1/20 0.33
GPBAR1 Q8TDU6 1/20 0.33
HTT P42858 1/20 0.33
FBP1 P09467 1/20 0.33
PTPN11 Q06124 1/20 0.33
SCN9A Q15858 1/20 0.33
GRIN2B Q13224 1/20 0.33
NQO2 P16083 1/20 0.33
CREBBP Q92793 1/20 0.32
PTGER1 P34995 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
SCHEMBL9928939 0.92 DHODH (0.36) DHODHTRPM8FABP3FABP4P2RX7
SCHEMBL9967833 0.87 NPC1 (0.35) DHODHTRPM8FABP3FABP4ALDH1A1
SCHEMBL9929263 0.84 SCN9A (0.38) DHODHTRPM8DCLRE1BALDH1A1KMT2A
SCHEMBL21517186 0.84 ALDH1A1 (0.35) DHODHTRPM8FABP3FABP4P2RX7
SCHEMBL15621481 0.83 TRPM8 (0.40) DHODHTRPM8FABP3FABP4P2RX7
SCHEMBL19592819 0.83 GPBAR1 (0.36) TRPM8FABP3FABP4ALDH1A1KMT2A
SCHEMBL9952395 0.81 PIK3CD (0.36) DHODHTRPM8P2RX7KMT2ANR4A1
SCHEMBL9928695 0.80 TRPM8 (0.38) DHODHTRPM8FABP3FABP4P2RX7
SCHEMBL2013729 0.80 TRPM8 (0.38) DHODHTRPM8FABP3FABP4P2RX7
SCHEMBL9952399 0.80 TAAR1 (0.38) DCLRE1BPTPN11GRIN2B

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 10 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
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 DHODH 3856/4885TRPM8 4089/4885FABP3 4381/4885
US-20150284390-A1 N-(1-(SUBSTITUTED-PHENYL)ETHYL)-9H-PURIN-6-AMINES AS PI3K INHIBITORS PIK3CA, PIK3CD, PI4KB DHODH 3856/4885TRPM8 4089/4885FABP3 4381/4885
US-20170158696-A1 N-(1-(SUBSTITUTED-PHENYL)ETHYL)-9H-PURIN-6-AMINES AS PI3K INHIBITORS PIK3CA, PIK3CD, PI4KB DHODH 3856/4885TRPM8 4089/4885FABP3 4381/4885

“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.