SCHEMBL16891997

SCHEMBL16891997

CC(C)(C)OC(=O)N1CCC2(CC1)CN(Cc1cnc(Cl)nc1)C2

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 4/20 0.47
CYP2C9 P11712 4/20 0.47
CYP2C19 P33261 3/20 0.47
USP2 O75604 3/20 0.47
ALDH1A1 P00352 2/20 0.47
CYP3A4 P08684 2/20 0.47
OPRD1 P41143 1/20 0.45
OPRK1 P41145 1/20 0.45
RORC P51449 1/20 0.44
CYP2D6 P10635 3/20 0.44
ACACB O00763 4/20 0.44
GHSR Q92847 2/20 0.43
HPGD P15428 1/20 0.43
CYP11B2 P19099 1/20 0.42
NAMPT P43490 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
SCHEMBL16892078 0.92 CYP3A4 (0.48) CYP1A2CYP2C9CYP2C19USP2ALDH1A1
SCHEMBL16892030 0.91 ACACB (0.44) CYP1A2CYP2C9CYP2C19USP2ALDH1A1
SCHEMBL20311305 0.90 ACACB (0.47) CYP1A2CYP2C9CYP2C19USP2ALDH1A1
SCHEMBL16891998 0.90 RORC (0.47) OPRD1OPRK1RORCACACBCYP11B2
SCHEMBL31161858 0.89 CYP1A2 (0.45) CYP1A2CYP2C9CYP2C19USP2ALDH1A1
SCHEMBL16892052 0.86 VEGFA (0.50)
SCHEMBL20528288 0.84 CYP1A2 (0.47) CYP1A2CYP2C9CYP2C19USP2ALDH1A1
SCHEMBL27477846 0.83 CYP2D6 (0.62) CYP1A2CYP2C9CYP2C19USP2ALDH1A1
SCHEMBL28644780 0.83 GHSR (0.57) CYP1A2CYP2C9CYP2C19USP2ALDH1A1
SCHEMBL31458848 0.83 GHSR (0.57) CYP1A2CYP2C9CYP2C19USP2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024220937-A2 TYK2 DEGRADERS AND USES THEREOF KYMERA THERAPEUTICS, INC. (US) 2024-10-24 WO disclosed
EP-3091008-B1 KINASE INHIBITOR AND USE THEREOF XUANZHU PHARMA CO LTD (CN) 2018-06-27 EP disclosed
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 CYP1A2 4084/4885CYP2C9 2310/4885CYP2C19 2274/4885
US-20180000819-A1 KINASE INHIBITOR AND USE THEREOF CDK4, CDK6, CDK3 CYP1A2 4084/4885CYP2C9 2310/4885CYP2C19 2274/4885

“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.