SCHEMBL16748147

SCHEMBL16748147

CC(C)(C)OC(=O)N1CC[C@@H](Nc2c(N)cnc3ccc(Br)cc23)C1

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 4/20 0.54
USP30 Q70CQ3 5/20 0.49
PIK3CA P42336 4/20 0.48
PIK3CB P42338 2/20 0.44
PIK3CG P48736 2/20 0.44
BTK Q06187 1/20 0.44
FPR3 P25089 1/20 0.43
FPR2 P25090 1/20 0.43
JAK1 P23458 1/20 0.43
MET P08581 1/20 0.43
KRAS P01116 1/20 0.43
EHMT2 Q96KQ7 1/20 0.43
NSD2 O96028 1/20 0.42
IRAK4 Q9NWZ3 1/20 0.42

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
SCHEMBL16748148 1.00 PIK3CD (0.54) PIK3CDUSP30PIK3CAPIK3CBPIK3CG
SCHEMBL16748284 1.00 PIK3CD (0.54) PIK3CDUSP30PIK3CAPIK3CBPIK3CG
SCHEMBL16748313 0.95 PIK3CD (0.49) PIK3CDUSP30PIK3CAJAK1KRAS
SCHEMBL16748161 0.95 PIK3CD (0.49) PIK3CDUSP30PIK3CAPIK3CBPIK3CG
SCHEMBL16748260 0.95 PIK3CD (0.49) PIK3CDUSP30PIK3CAPIK3CBPIK3CG
SCHEMBL16748210 0.93 EHMT2 (0.49) PIK3CDUSP30PIK3CAPIK3CBPIK3CG
SCHEMBL15181273 0.89 PIK3CD (0.52) PIK3CDUSP30PIK3CAPIK3CBPIK3CG
SCHEMBL15181276 0.89 PIK3CD (0.52) PIK3CDUSP30PIK3CAPIK3CBPIK3CG
SCHEMBL29627990 0.86 IRAK4 (0.55) PIK3CDUSP30PIK3CAPIK3CBPIK3CG
SCHEMBL28946255 0.86 IRAK4 (0.55) PIK3CDUSP30PIK3CAPIK3CBPIK3CG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3072893-B1 KETONE DERIVATIVES OF IMIDAZOLES, PHARMACEUTICAL COMBINATIONS AND USES THEREOF BEIJING FORELANDPHARMA CO LTD (CN) 2020-03-18 EP disclosed
US-20160304510-A1 IMIDAZOLONE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS AND USES THEREOF BEIJING FORELANDPHARMA CO. LTD. (CN) 2016-10-20 US disclosed
US-20160304510-A1 IMIDAZOLONE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS AND USES THEREOF BEIJING FORELANDPHARMA CO. LTD. (CN) 2016-10-20 US disclosed
EP-3072893-A1 KETONE DERIVATIVES OF IMIDAZOLES, PHARMACEUTICAL COMBINATIONS AND USES THEREOF Beijing Forelandpharma Co. Ltd. (CN) 2016-09-28 EP disclosed
WO-2015074516-A1 KETONE DERIVATIVES OF IMIDAZOLES, PHARMACEUTICAL COMBINATIONS AND USES THEREOF 北京富龙康泰生物技术有限公司 2015-05-28 WO 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-20160304510-A1 IMIDAZOLONE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS AND USES THEREOF DMPK, MAP3K15, MAP4K2 PIK3CD 86/4885USP30 1965/4885PIK3CA 62/4885

“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.