SCHEMBL29674674

SCHEMBL29674674

CC(C)N1C(=O)COc2c(F)cc(-c3nc(Nc4ccc(C5CCN(C)CC5)cn4)ncc3F)cc21

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CDK6 Q00534 20/20 0.75
▸ CDK4 P11802 19/20 0.75
▸ CCNA2 P20248 5/20 0.75
▸ CDK2 P24941 5/20 0.75
▸ CSF1R P07333 3/20 0.75
▸ CCNK O75909 1/20 0.75
▸ CDK7 P50613 1/20 0.75
▸ CDK9 P50750 1/20 0.75
▸ CCNH P51946 1/20 0.75
▸ CDK5 Q00535 1/20 0.75
▸ CDK5R1 Q15078 1/20 0.75
▸ PIK3CD O00329 1/20 0.63
▸ CCND3 P30281 3/20 0.57
▸ CCNE2 O96020 1/20 0.55
▸ CDK1 P06493 1/20 0.55
▸ PIM1 P11309 1/20 0.55
▸ CCND1 P24385 1/20 0.55
▸ CCNE1 P24864 1/20 0.55
▸ JAK3 P52333 1/20 0.55
▸ MAP3K14 Q99558 1/20 0.55

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
SCHEMBL22983965 1.00 CDK6 (0.75) CDK6CDK4CCNA2CDK2CSF1R
SCHEMBL21267755 0.89 CDK4 (0.75) CDK6CDK4CCNA2CDK2CSF1R
SCHEMBL24632783 0.86 CDK6 (0.65) CDK6CDK4CCNA2CDK2CSF1R
SCHEMBL24632519 0.86 CDK6 (0.65) CDK6CDK4CCNA2CDK2CSF1R
Inixaciclib SCHEMBL29780787 0.85 CDK4 (1.00) CDK6CDK4CCNA2CDK2CSF1R
Inixaciclib SCHEMBL21245766 0.85 CDK4 (1.00) CDK6CDK4CCNA2CDK2CSF1R
SCHEMBL21267760 0.85 CDK4 (0.75) CDK6CDK4CCNA2CDK2CSF1R
SCHEMBL21267494 0.85 CDK4 (0.75) CDK6CDK4CCNA2CDK2CSF1R
Inixaciclib SCHEMBL21245586 0.85 CDK4 (0.98) CDK6CDK4CCNA2CDK2CSF1R
Inixaciclib SCHEMBL30063971 0.85 CDK4 (0.98) CDK6CDK4CCNA2CDK2CSF1R

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220347187-A1 HETEROCYCLIC COMPOUNDS AS KINASE INHIBITORS NUVATION BIO OPERATING COMPANY LLC 2022-11-03 — — US disclosed
EP-4013743-A1 HETEROCYCLIC COMPOUNDS AS KINASE INHIBITORS Nuvation Bio Inc. (US) 2022-06-22 — — EP 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-20220347187-A1 HETEROCYCLIC COMPOUNDS AS KINASE INHIBITORS CDK4, CDK6, CDK8 CDK6 2/4885CDK4 1/4885CCNA2 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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