SCHEMBL16892004

SCHEMBL16892004

CC(C)(C)OC(=O)N1C[C@H]2CN(Cc3cnc(Cl)nc3)C[C@H]2C1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNK3 O14649 3/20 0.49
KCNK9 Q9NPC2 3/20 0.49
NR1H2 P55055 1/20 0.45
GPR119 Q8TDV5 4/20 0.39
USP30 Q70CQ3 1/20 0.39
NAMPT P43490 1/20 0.38
LTA4H P09960 1/20 0.38
POLB P06746 1/20 0.38
TP53 P04637 1/20 0.38
THRB P10828 1/20 0.38
HDAC3 O15379 2/20 0.38
HDAC4 P56524 2/20 0.38
HDAC1 Q13547 2/20 0.38
HDAC7 Q8WUI4 2/20 0.38
HDAC2 Q92769 2/20 0.38
HDAC10 Q969S8 2/20 0.38
HDAC11 Q96DB2 2/20 0.38
HDAC8 Q9BY41 2/20 0.38
HDAC6 Q9UBN7 2/20 0.38
HDAC9 Q9UKV0 2/20 0.38

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
SCHEMBL16892002 1.00 KCNK3 (0.49) KCNK3KCNK9NR1H2GPR119USP30
SCHEMBL20311272 0.87 KMT2A (0.52) KCNK3KCNK9NR1H2GPR119NAMPT
SCHEMBL16891558 0.85 NAMPT (0.39) KCNK3KCNK9GPR119NAMPTTP53
SCHEMBL16892090 0.85 NAMPT (0.39) KCNK3KCNK9GPR119NAMPTTP53
SCHEMBL16892052 0.84 VEGFA (0.50) GPR119POLBTP53THRB
SCHEMBL21276170 0.84 KCNK3 (0.59) KCNK3KCNK9NR1H2USP30POLB
SCHEMBL18201818 0.82 KCNK3 (0.45) KCNK3KCNK9NR1H2GPR119USP30
SCHEMBL649847 0.82 KCNK3 (0.55) KCNK3KCNK9NR1H2GPR119NAMPT
SCHEMBL16053284 0.82 KCNK3 (0.55) KCNK3KCNK9NR1H2GPR119NAMPT
SCHEMBL584450 0.82 KCNK3 (0.55) KCNK3KCNK9NR1H2GPR119NAMPT

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 14 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-9949976-B2 Kinase inhibitor and use thereof Xuanzhu Pharma Co., Ltd. (CN) 2018-04-24 US 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-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-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
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 KCNK3 1283/4885KCNK9 1159/4885NR1H2 3595/4885
US-20180000819-A1 KINASE INHIBITOR AND USE THEREOF CDK4, CDK6, CDK3 KCNK3 1283/4885KCNK9 1159/4885NR1H2 3595/4885

“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.