SCHEMBL21245663

SCHEMBL21245663

CC(C)N1CCOc2c(F)cc(-c3nc(Nc4ccc(C5CCN(C)CC5)nc4)ncc3F)cc21

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ CDK4 P11802 19/20 1.00
▸ CDK6 Q00534 19/20 1.00
▸ CCNA2 P20248 8/20 1.00
▸ CDK2 P24941 8/20 1.00
▸ CSF1R P07333 8/20 1.00
▸ CCNK O75909 4/20 1.00
▸ CDK7 P50613 4/20 1.00
▸ CDK9 P50750 4/20 1.00
▸ CCNH P51946 4/20 1.00
▸ CDK5 Q00535 4/20 1.00
▸ CDK5R1 Q15078 4/20 1.00

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
SCHEMBL30063975 0.92 CDK4 (0.84) CDK4CDK6CCNA2CDK2CSF1R
SCHEMBL21245831 0.92 CDK4 (0.84) CDK4CDK6CCNA2CDK2CSF1R
SCHEMBL21245696 0.89 CDK4 (1.00) CDK4CDK6CCNA2CDK2CSF1R
SCHEMBL21245672 0.89 CDK4 (1.00) CDK4CDK6CCNA2CDK2CSF1R
SCHEMBL21267013 0.88 CDK4 (0.90) CDK4CDK6CCNA2CDK2CSF1R
SCHEMBL24681915 0.87 CDK4 (0.78) CDK4CDK6CCNA2CDK2CSF1R
SCHEMBL21245741 0.87 CDK4 (1.00) CDK4CDK6CCNA2CDK2CSF1R
SCHEMBL30199051 0.87 CDK4 (1.00) CDK4CDK6CCNA2CDK2CSF1R
SCHEMBL21267020 0.87 CDK4 (0.87) CDK4CDK6CCNA2CDK2CSF1R
SCHEMBL21267312 0.87 CDK4 (0.87) CDK4CDK6CCNA2CDK2CSF1R

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
US-20230062022-A1 HETEROCYCLIC COMPOUNDS AS KINASE INHIBITORS NUVATION BIO INC (US) 2023-03-02 — — US disclosed
US-20230062022-A1 HETEROCYCLIC COMPOUNDS AS KINASE INHIBITORS NUVATION BIO INC (US) 2023-03-02 — — US disclosed
US-11174252-B2 Heterocyclic compounds as kinase inhibitors NUVATION BIO INC. (US) 2021-11-16 — — US disclosed
US-11174252-B2 Heterocyclic compounds as kinase inhibitors NUVATION BIO INC. (US) 2021-11-16 — — US disclosed
CN-112334451-A Heterocyclic compounds as kinase inhibitors 诺维逊生物股份有限公司 2021-02-05 — — CN disclosed
US-20190248774-A1 HETEROCYCLIC COMPOUNDS AS KINASE INHIBITORS SAGARD HOLDINGS MANAGER LP, AS ADMINISTRATIVE AGENT (CA) 2019-08-15 — — US disclosed
US-20190248774-A1 HETEROCYCLIC COMPOUNDS AS KINASE INHIBITORS SAGARD HOLDINGS MANAGER LP, AS ADMINISTRATIVE AGENT (CA) 2019-08-15 — — 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 (3 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-11174252-B2 Heterocyclic compounds as kinase inhibitors CDK6, CDK4, CDK9 CDK4 2/4885CDK6 1/4885CCNA2 33/4885
US-20190248774-A1 HETEROCYCLIC COMPOUNDS AS KINASE INHIBITORS CDK4, CDK6, CDK8 CDK4 1/4885CDK6 2/4885CCNA2 38/4885
US-20230062022-A1 HETEROCYCLIC COMPOUNDS AS KINASE INHIBITORS CDK4, CDK6, CDK8 CDK4 1/4885CDK6 2/4885CCNA2 38/4885

“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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