SCHEMBL20758752

SCHEMBL20758752

CCN1CCC(COc2ccc(N)nc2)CC1

nearest known ligand 0.47

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 3/20 0.47

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
SCHEMBL29660553 1.00 SIGMAR1 (0.47) SIGMAR1
SCHEMBL28036934 0.86 SIGMAR1 (0.60) SIGMAR1
SCHEMBL20758864 0.86 CXCR1 (0.46)
SCHEMBL28036978 0.84 GPR119 (0.53) SIGMAR1
SCHEMBL28037412 0.84 SIGMAR1 (0.44) SIGMAR1
SCHEMBL9111641 0.83 PARP15 (0.49)
SCHEMBL20758197 0.83 CHRNB2 (0.56) SIGMAR1
SCHEMBL23634067 0.82 F10 (0.41) SIGMAR1
SCHEMBL31132814 0.81 PARP10 (0.51)
SCHEMBL28067029 0.79 PARP10 (0.53)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4013743-A1 HETEROCYCLIC COMPOUNDS AS KINASE INHIBITORS Nuvation Bio Inc. (US) 2022-06-22 EP disclosed
US-11351170-B2 Substituted pyrimidines as CDK4/6 inhibitors BEIJING XUANYI PHARMASCIENCES CO., LTD. (CN) 2022-06-07 US disclosed
CN-114502536-A Heterocyclic compounds as kinase inhibitors 诺维逊生物股份有限公司 2022-05-13 CN disclosed
US-20210128555-A1 CDK4/6 INHIBITORS AND USE THEREOF BEIJING XUANYI PHARMASCIENCES CO., LTD. (CN) 2021-05-06 US disclosed
WO-2021030623-A1 HETEROCYCLIC COMPOUNDS AS KINASE INHIBITORS NUVATION BIO INC. (US) 2021-02-18 WO disclosed
WO-2019035008-A1 CDK4/6 INHIBITORS AND USE THEREOF BEIJING XUANYI PHARMASCIENCES CO., LTD. (CN) 2019-02-21 WO disclosed
CN-105153119-A Pyridylpyrimidyl amine compounds or pyridylpyridyl amine compounds and application thereof GUANGZHOU KEQIN NEW MEDICINE DESIGN CO LTD 2015-12-16 CN 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-11351170-B2 Substituted pyrimidines as CDK4/6 inhibitors CDK4, CDK6, CDK2 SIGMAR1 4260/4885
US-20210128555-A1 CDK4/6 INHIBITORS AND USE THEREOF CDK4, CDK6, CDK1 SIGMAR1 4105/4885

“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.