SCHEMBL16748313

SCHEMBL16748313

CC(C)(C)OC(=O)N1CCC(Nc2c(N)cnc3ccc(Br)cc23)CC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 2/20 0.49
JAK1 P23458 1/20 0.47
NSD2 O96028 1/20 0.47
PIK3CA P42336 2/20 0.46
IRAK4 Q9NWZ3 1/20 0.46
CNR1 P21554 1/20 0.46
ALDH1A1 P00352 2/20 0.46
NPC1 O15118 1/20 0.45
MAPT P10636 1/20 0.45
MAPK1 P28482 1/20 0.45
HTT P42858 1/20 0.45
RAB9A P51151 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
USP30 Q70CQ3 1/20 0.44
DNMT3A Q9Y6K1 1/20 0.44
CCNA2 P20248 1/20 0.43
CDK2 P24941 1/20 0.43
KDM1A O60341 1/20 0.42
EHMT2 Q96KQ7 1/20 0.42
RCOR1 Q9UKL0 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 0.95 PIK3CD (0.54) PIK3CDJAK1NSD2PIK3CAIRAK4
SCHEMBL16748284 0.95 PIK3CD (0.54) PIK3CDJAK1NSD2PIK3CAIRAK4
SCHEMBL16748147 0.95 PIK3CD (0.54) PIK3CDJAK1NSD2PIK3CAIRAK4
SCHEMBL16748210 0.90 EHMT2 (0.49) PIK3CDPIK3CAIRAK4HTTUSP30
SCHEMBL16748161 0.90 PIK3CD (0.49) PIK3CDJAK1PIK3CAIRAK4USP30
SCHEMBL16748260 0.90 PIK3CD (0.49) PIK3CDJAK1PIK3CAIRAK4USP30
SCHEMBL12183663 0.89 JAK1 (0.47) PIK3CDJAK1NSD2PIK3CAIRAK4
SCHEMBL14603734 0.86 JAK1 (0.50) PIK3CDJAK1NSD2CNR1ALDH1A1
SCHEMBL16748317 0.85 PIK3CD (0.46) PIK3CDJAK1NSD2PIK3CAIRAK4
SCHEMBL16748250 0.85 GPR119 (0.42) PIK3CDJAK1IRAK4GPR119

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-3072893-B1 KETONE DERIVATIVES OF IMIDAZOLES, PHARMACEUTICAL COMBINATIONS AND USES THEREOF BEIJING FORELANDPHARMA CO LTD (CN) 2020-03-18 EP disclosed
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
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
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 86/4885JAK1 116/4885NSD2 2649/4885

“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.