SCHEMBL25085680

SCHEMBL25085680

CC(C)N1c2cc(-c3nc(Nc4ccc(N5CCC(N(C)C)CC5)c(C#N)c4)ncc3F)cc(F)c2OCC1C

nearest known ligand 0.66

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ CDK6 Q00534 20/20 0.66
▸ CDK4 P11802 19/20 0.66
▸ CSF1R P07333 19/20 0.66
▸ PIK3CD O00329 5/20 0.66
▸ CCNK O75909 3/20 0.66
▸ CCNA2 P20248 3/20 0.66
▸ CDK2 P24941 3/20 0.66
▸ CDK7 P50613 3/20 0.66
▸ CDK9 P50750 3/20 0.66
▸ CCNH P51946 3/20 0.66
▸ CDK5 Q00535 3/20 0.66
▸ CDK5R1 Q15078 3/20 0.66

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
SCHEMBL21267740 0.95 CDK4 (0.58) CDK6CDK4CSF1RPIK3CDCCNK
SCHEMBL21267160 0.92 CSF1R (0.76) CDK6CDK4CSF1RPIK3CDCCNK
SCHEMBL21267320 0.88 CDK6 (0.85) CDK6CDK4CSF1RPIK3CDCCNK
SCHEMBL21267074 0.85 CSF1R (0.57) CDK6CDK4CSF1RPIK3CDCCNK
SCHEMBL21267030 0.82 CDK6 (0.76) CDK6CDK4CSF1RPIK3CDCCNK
SCHEMBL21267071 0.81 CSF1R (0.74) CDK6CDK4CSF1RPIK3CDCCNK
SCHEMBL21267807 0.81 CSF1R (0.72) CDK6CDK4CSF1RPIK3CDCCNK
SCHEMBL21245722 0.79 CSF1R (1.00) CDK6CDK4CSF1RPIK3CDCCNK
SCHEMBL21245812 0.79 CDK6 (1.00) CDK6CDK4CSF1RPIK3CDCCNK
SCHEMBL21267321 0.78 CDK6 (0.89) CDK6CDK4CSF1RPIK3CDCCNK

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 1 patent. 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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-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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