SCHEMBL16891998

SCHEMBL16891998

CC(C)(C)OC(=O)N1CC2(CN(Cc3cnc(Cl)nc3)C2)C1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
RORC P51449 2/20 0.47
GPR119 Q8TDV5 2/20 0.41
CD274 Q9NZQ7 7/20 0.39
PDCD1 Q15116 6/20 0.39
POLB P06746 1/20 0.38
NR1H2 P55055 1/20 0.38
OPRD1 P41143 1/20 0.38
OPRK1 P41145 1/20 0.38
CYP11B2 P19099 1/20 0.38
EIF2AK4 Q9P2K8 1/20 0.37
PDCD1LG2 Q9BQ51 1/20 0.37
ACACB O00763 1/20 0.37
TBK1 Q9UHD2 1/20 0.37
PARP1 P09874 1/20 0.36
VEGFA P15692 1/20 0.36
EGLN1 Q9GZT9 1/20 0.36

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
SCHEMBL16891997 0.90 CYP1A2 (0.47) RORCOPRD1OPRK1CYP11B2ACACB
SCHEMBL16892030 0.90 ACACB (0.44) RORCOPRD1OPRK1CYP11B2EIF2AK4
SCHEMBL16892052 0.84 VEGFA (0.50) GPR119POLBTBK1VEGFAEGLN1
SCHEMBL16892078 0.83 CYP3A4 (0.48) GPR119OPRD1OPRK1
SCHEMBL23003391 0.82 CYP3A4 (0.52) RORCGPR119
SCHEMBL18201811 0.82 RORC (0.49) RORCGPR119OPRD1OPRK1CYP11B2
SCHEMBL19173661 0.82 RORC (0.53) RORCGPR119OPRD1OPRK1
SCHEMBL16892002 0.81 KCNK3 (0.49) GPR119POLBNR1H2
SCHEMBL16892004 0.81 KCNK3 (0.49) GPR119POLBNR1H2
SCHEMBL30620505 0.80 RORC (0.53) RORCPOLBPARP1VEGFAEGLN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3091008-B1 KINASE INHIBITOR AND USE THEREOF XUANZHU PHARMA CO LTD (CN) 2018-06-27 EP disclosed
US-9949976-B2 Kinase inhibitor and use thereof Xuanzhu Pharma Co., Ltd. (CN) 2018-04-24 US disclosed
US-20180000819-A1 KINASE INHIBITOR AND USE THEREOF Xuanzhu Biopharmaceutical Co., Ltd. (CN) 2018-01-04 US disclosed
US-9796701-B2 Kinase inhibitor and use thereof Xuanzhu Pharma Co., Ltd. (CN) 2017-10-24 US disclosed
US-9796701-B2 Kinase inhibitor and use thereof Xuanzhu Pharma Co., Ltd. (CN) 2017-10-24 US disclosed
US-20160332989-A1 Kinase Inhibitor And Use Thereof Xuanzhu Biopharmaceutical Co., Ltd. (CN) 2016-11-17 US disclosed
US-20160332989-A1 Kinase Inhibitor And Use Thereof Xuanzhu Biopharmaceutical Co., Ltd. (CN) 2016-11-17 US disclosed
EP-3091008-A1 KINASE INHIBITOR AND USE THEREOF Xuanzhu Pharma Co., Ltd. (CN) 2016-11-09 EP disclosed
WO-2015101293-A1 KINASE INHIBITOR AND USE THEREOF 山东轩竹医药科技有限公司 2015-07-09 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 (2 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-20160332989-A1 Kinase Inhibitor And Use Thereof CDK4, CDK6, CDK3 RORC 848/4885GPR119 2215/4885CD274 1941/4885
US-20180000819-A1 KINASE INHIBITOR AND USE THEREOF CDK4, CDK6, CDK3 RORC 848/4885GPR119 2215/4885CD274 1941/4885

“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.