SCHEMBL20744508

SCHEMBL20744508

CN1CCC2(CC1)CCN(Cc1ccc(Nc3ncccn3)nc1)CC2

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CCND1 P24385 12/20 0.46
CDK4 P11802 7/20 0.46
CDK6 Q00534 16/20 0.45
CCND3 P30281 6/20 0.44
CDK1 P06493 4/20 0.44
CCNA2 P20248 1/20 0.44
CCNE2 O96020 2/20 0.42
CDK2 P24941 2/20 0.42
KDR P35968 1/20 0.42
CCNB1 P14635 1/20 0.42
CHRM2 P08172 1/20 0.41

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
SCHEMBL20744532 0.92 CDK6 (0.44) CCND1CDK4CDK6CCND3CDK1
SCHEMBL20744510 0.92 CCND1 (0.43) CCND1CDK4CDK6CCND3CDK1
SCHEMBL20744557 0.90 CCND1 (0.54) CCND1CDK4CDK6CCND3CDK1
SCHEMBL20744419 0.88 CDK6 (0.49) CCND1CDK4CDK6CCND3CDK1
SCHEMBL20744015 0.82 CCND1 (0.42) CCND1CDK4CDK6CCND3CDK1
SCHEMBL23296201 0.80 CDK6 (0.51) CCND1CDK4CDK6CCND3CDK1
SCHEMBL20744537 0.80 CDK6 (0.58) CCND1CDK4CDK6CCND3CDK1
SCHEMBL20744900 0.79 CNR2 (0.42) CCND1CDK4CDK6CCND3CDK1
SCHEMBL20744431 0.78 CCND1 (0.55) CCND1CDK4CDK6CCND3CDK1
SCHEMBL23296205 0.76 CDK6 (0.43) CCND1CDK4CDK6CCND3CDK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11351170-B2 Substituted pyrimidines as CDK4/6 inhibitors BEIJING XUANYI PHARMASCIENCES CO., LTD. (CN) 2022-06-07 US disclosed
US-20210128555-A1 CDK4/6 INHIBITORS AND USE THEREOF BEIJING XUANYI PHARMASCIENCES CO., LTD. (CN) 2021-05-06 US disclosed
WO-2019035008-A1 CDK4/6 INHIBITORS AND USE THEREOF BEIJING XUANYI PHARMASCIENCES CO., LTD. (CN) 2019-02-21 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-11351170-B2 Substituted pyrimidines as CDK4/6 inhibitors CDK4, CDK6, CDK2 CCND1 35/4885CDK4 1/4885CDK6 2/4885
US-20210128555-A1 CDK4/6 INHIBITORS AND USE THEREOF CDK4, CDK6, CDK1 CCND1 34/4885CDK4 1/4885CDK6 2/4885

“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.