SCHEMBL23295753

SCHEMBL23295753

N#Cc1ccc(NC2CCN(C(=O)O)C2)nc1

nearest known ligand 0.62

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ CCNK O75909 2/20 0.62
▸ CDK12 Q9NYV4 2/20 0.62
▸ CYP3A4 P08684 2/20 0.57
▸ CYP2D6 P10635 2/20 0.57
▸ CYP2C9 P11712 2/20 0.57
▸ HSD11B1 P28845 2/20 0.57
▸ HSD11B2 P80365 1/20 0.57
▸ CCR6 P51684 8/20 0.55
▸ JAK3 P52333 2/20 0.53
▸ JAK2 O60674 1/20 0.53
▸ DPP4 P27487 4/20 0.50
▸ DPP8 Q6V1X1 1/20 0.50
▸ DPP9 Q86TI2 1/20 0.50
▸ USP30 Q70CQ3 1/20 0.49
▸ DPP7 Q9UHL4 1/20 0.48

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
SCHEMBL28559099 1.00 CCNK (0.62) CCNKCDK12CYP3A4CYP2D6CYP2C9
SCHEMBL1119515 0.93 CCNK (0.55) CCNKCDK12CYP3A4CYP2D6CYP2C9
SCHEMBL21853948 0.92 CCNK (0.61) CCNKCDK12CYP3A4CYP2D6CYP2C9
SCHEMBL21853973 0.90 CCNK (0.53) CCNKCDK12CYP3A4CYP2D6CYP2C9
SCHEMBL28541025 0.85 CCNK (0.60) CCNKCDK12CYP3A4CYP2D6CYP2C9
SCHEMBL28541024 0.85 CCNK (0.60) CCNKCDK12CYP3A4CYP2D6CYP2C9
SCHEMBL1036415 0.83 CYP3A4 (0.58) CCNKCDK12CYP3A4CYP2D6CYP2C9
SCHEMBL23292365 0.83 CYP3A4 (0.58) CCNKCDK12CYP3A4CYP2D6CYP2C9
SCHEMBL1036416 0.83 CYP3A4 (0.58) CCNKCDK12CYP3A4CYP2D6CYP2C9
SCHEMBL2424299 0.82 CCNK (0.47) CCNKCDK12CYP3A4CYP2D6CYP2C9

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-20210130340-A1 INHIBITORS OF CYCLIN-DEPENDENT KINASES KINNATE BIOPHARMA INC. 2021-05-06 — — US disclosed
CN-112638373-A Cyclin-dependent kinase inhibitors 金耐特生物制药公司 2021-04-09 — — CN 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-20210130340-A1 INHIBITORS OF CYCLIN-DEPENDENT KINASES CDK2, CCNK, CDK1 CCNK 2/4885CDK12 22/4885CYP3A4 4107/4885

“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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