SCHEMBL21245652

SCHEMBL21245652

CC(C)N1CCOc2c(F)cc(-c3nc(Nc4ccc(C5CCN(C(=O)CO)CC5)cn4)ncc3F)cc21

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ CDK6 Q00534 20/20 1.00
▸ CDK4 P11802 19/20 1.00
▸ CSF1R P07333 9/20 0.87
▸ CCNA2 P20248 4/20 0.79
▸ CDK2 P24941 4/20 0.79
▸ CCNK O75909 2/20 0.79
▸ CDK9 P50750 2/20 0.79
▸ CDK7 P50613 1/20 0.79
▸ CCNH P51946 1/20 0.79
▸ CDK5 Q00535 1/20 0.79
▸ CDK5R1 Q15078 1/20 0.79
▸ PIK3CD O00329 2/20 0.67

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
SCHEMBL21245817 0.93 CDK4 (1.00) CDK6CDK4CSF1RCCNA2CDK2
SCHEMBL21245744 0.91 CDK6 (1.00) CDK6CDK4CSF1RCCNA2CDK2
SCHEMBL30631143 0.89 CDK6 (0.80) CDK6CDK4CSF1RCCNA2CDK2
SCHEMBL21245719 0.89 CDK6 (0.80) CDK6CDK4CSF1RCCNA2CDK2
SCHEMBL30063972 0.89 CDK6 (0.80) CDK6CDK4CSF1RCCNA2CDK2
Inixaciclib SCHEMBL29780787 0.88 CDK4 (1.00) CDK6CDK4CSF1RCCNA2CDK2
Inixaciclib SCHEMBL21245766 0.88 CDK4 (1.00) CDK6CDK4CSF1RCCNA2CDK2
SCHEMBL21246649 0.88 CDK4 (1.00) CDK6CDK4CSF1RCCNA2CDK2
Inixaciclib SCHEMBL21245586 0.88 CDK4 (0.98) CDK6CDK4CSF1RCCNA2CDK2
Inixaciclib SCHEMBL30063971 0.88 CDK4 (0.98) CDK6CDK4CSF1RCCNA2CDK2

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 CDK6 1/4885CDK4 2/4885CSF1R 3721/4885
US-20190248774-A1 HETEROCYCLIC COMPOUNDS AS KINASE INHIBITORS CDK4, CDK6, CDK8 CDK6 2/4885CDK4 1/4885CSF1R 4272/4885
US-20230062022-A1 HETEROCYCLIC COMPOUNDS AS KINASE INHIBITORS CDK4, CDK6, CDK8 CDK6 2/4885CDK4 1/4885CSF1R 4272/4885

“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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