SCHEMBL22693061

SCHEMBL22693061

CCc1nc(C)c2[nH]cnc2n1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ CDK1 P06493 7/20 0.41
▸ CCNB1 P14635 7/20 0.41
▸ CCNA2 P20248 6/20 0.41
▸ CDK2 P24941 6/20 0.41
▸ CCNA1 P78396 6/20 0.41
▸ XDH P47989 5/20 0.40
▸ PIN1 Q13526 1/20 0.40
▸ PDPK1 O15530 1/20 0.39
▸ GDA Q9Y2T3 1/20 0.39
▸ ADORA3 P0DMS8 2/20 0.38
▸ ADORA2A P29274 1/20 0.38
▸ ADORA1 P30542 1/20 0.38
▸ MAP3K5 Q99683 1/20 0.38
▸ PAK1 Q13153 1/20 0.37
▸ PDE4A P27815 1/20 0.37
▸ PDE4B Q07343 1/20 0.37
▸ PDE4C Q08493 1/20 0.37
▸ PDE4D Q08499 1/20 0.37

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
SCHEMBL14461781 0.81 CDK2 (0.46) CDK1CCNB1CCNA2CDK2CCNA1
SCHEMBL29592683 0.80 PDPK1 (0.59) CDK1CCNB1CCNA2CDK2CCNA1
SCHEMBL11133893 0.80 CDK1 (0.40) CDK1CCNB1CCNA2CDK2CCNA1
SCHEMBL7293081 0.80 DPP4 (0.56) CDK1CCNB1CCNA2CDK2CCNA1
SCHEMBL16146868 0.80 CDK1 (0.40) CDK1CCNB1CCNA2CDK2CCNA1
SCHEMBL1924592 0.80 PDPK1 (0.59) CDK1CCNB1CCNA2CDK2CCNA1
Water SCHEMBL28083708 0.79 PDPK1 (0.58) CDK1CCNB1CCNA2CDK2CCNA1
SCHEMBL16146652 0.79 XDH (0.63) CDK1CCNB1CCNA2CDK2CCNA1
SCHEMBL10408919 0.77 ADORA3 (0.50) CDK1CCNB1CCNA2CDK2CCNA1
SCHEMBL12510082 0.77 CDK1 (0.39) CDK1CCNB1CCNA2CDK2CCNA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230043863-A1 HETEROAROMATIC DERIVATIVES FOR USE AS REGULATOR, PREPARATION METHOD THEREFOR AND USE THEREOF SHANGHAI HANSOH BIOMEDICAL CO., LTD. (CN) 2023-02-09 — — US disclosed
US-10844049-B2 GLP-1R agonists and uses thereof QILU REGOR THERAPEUTICS INC. (CN) 2020-11-24 — — US 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-10844049-B2 GLP-1R agonists and uses thereof GLP1R, GPR119, GIPR CDK1 4426/4885CCNB1 4463/4885CCNA2 4407/4885
US-20230043863-A1 HETEROAROMATIC DERIVATIVES FOR USE AS REGULATOR, PREPARATION METHOD THEREFOR AND USE THEREOF WEE2, WEE1, RORB CDK1 347/4885CCNB1 2447/4885CCNA2 2097/4885

“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.

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