SCHEMBL9970967

SCHEMBL9970967

CC(=O)c1cc(Cl)c(C)c(N2CCCC2O)c1-c1cccc(F)c1

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 1/20 0.35
HCRTR2 O43614 1/20 0.35
P2RX7 Q99572 1/20 0.35
CHRM3 P20309 8/20 0.35
CSNK1E P49674 1/20 0.34
RIPK1 Q13546 1/20 0.34
PTPN11 Q06124 1/20 0.34
PIK3CD O00329 1/20 0.34
PIK3R1 P27986 1/20 0.34
PIK3CB P42338 1/20 0.34
PIK3CG P48736 1/20 0.34
GRM5 P41594 3/20 0.33
HSD11B1 P28845 1/20 0.33
ADRB2 P07550 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
SCHEMBL9970971 0.89 HPGD (0.32) P2RX7CHRM3GRM5
SCHEMBL21517189 0.84 PIK3CD (0.35) HCRTR1HCRTR2CHRM3CSNK1EPTPN11
SCHEMBL21517312 0.84 P2RX7 (0.34) HCRTR1HCRTR2P2RX7CSNK1EPTPN11
SCHEMBL9929279 0.80 TP53 (0.42) P2RX7
SCHEMBL9928784 0.79 ENPP2 (0.36) P2RX7PTPN11
SCHEMBL9929118 0.78 SCN9A (0.38) P2RX7PTPN11PIK3CD
SCHEMBL15621481 0.77 TRPM8 (0.40) P2RX7
SCHEMBL9928695 0.74 TRPM8 (0.38) P2RX7
SCHEMBL2013729 0.74 TRPM8 (0.38) P2RX7PTPN11
SCHEMBL22047604 0.74 DRD2 (0.40)

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 2 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-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 (1 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 HCRTR1 4624/4885HCRTR2 4784/4885P2RX7 110/4885

“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.