SCHEMBL21245843

SCHEMBL21245843

CC(C)CN1CCOc2c(F)cc(-c3nc(Nc4ccc5c(n4)CCN(C(=O)OC(C)(C)C)C5)ncc3F)cc21

nearest known ligand 0.69

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ CDK4 P11802 20/20 0.69
▸ CDK6 Q00534 19/20 0.69
▸ CDK2 P24941 13/20 0.69
▸ CCNA2 P20248 3/20 0.69
▸ CSF1R P07333 6/20 0.58
▸ PIK3CD O00329 4/20 0.53
▸ CDK1 P06493 3/20 0.52
▸ CDK7 P50613 2/20 0.52
▸ CDK9 P50750 2/20 0.52
▸ CCNB1 P14635 2/20 0.52
▸ CCNE1 P24864 2/20 0.52

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
SCHEMBL21245540 0.91 CDK6 (0.68) CDK4CDK6CDK2CCNA2CSF1R
SCHEMBL21245573 0.86 CDK4 (0.67) CDK4CDK6CDK2CCNA2CSF1R
SCHEMBL21267982 0.86 CDK4 (0.67) CDK4CDK6CDK2CCNA2CSF1R
SCHEMBL21245725 0.83 CDK6 (0.78) CDK4CDK6CDK2CCNA2CSF1R
SCHEMBL21245767 0.81 CDK4 (1.00) CDK4CDK6CDK2CCNA2CSF1R
SCHEMBL20356434 0.80 CDK4 (0.66) CDK4CDK6CDK2CDK1CDK7
SCHEMBL21245748 0.80 CDK6 (0.76) CDK4CDK6CDK2CCNA2CSF1R
SCHEMBL21245640 0.80 CDK6 (0.76) CDK4CDK6CDK2CCNA2CSF1R
SCHEMBL21245654 0.79 CDK6 (0.78) CDK4CDK6CDK2CCNA2CSF1R
SCHEMBL19089035 0.79 CDK4 (0.87) CDK4CDK6CDK2CDK1CDK7

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 5 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-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
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 1/4885CDK2 4/4885
US-20190248774-A1 HETEROCYCLIC COMPOUNDS AS KINASE INHIBITORS CDK4, CDK6, CDK8 CDK4 1/4885CDK6 2/4885CDK2 6/4885
US-20230062022-A1 HETEROCYCLIC COMPOUNDS AS KINASE INHIBITORS CDK4, CDK6, CDK8 CDK4 1/4885CDK6 2/4885CDK2 6/4885

“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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