SCHEMBL25613092

SCHEMBL25613092

CC(C)(C)c1cc2cc[nH]c2nc1OCC1CCCC1

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ CDK2 P24941 20/20 0.40
▸ CDK1 P06493 19/20 0.40
▸ CCNB1 P14635 18/20 0.40
▸ CCNA2 P20248 17/20 0.40
▸ CCNA1 P78396 17/20 0.40
▸ CCNB2 O95067 16/20 0.40
▸ CCNB3 Q8WWL7 16/20 0.40
▸ CDK5 Q00535 2/20 0.40
▸ CCNT1 O60563 1/20 0.40
▸ CDK7 P50613 1/20 0.40
▸ CDK9 P50750 1/20 0.40
▸ CCNH P51946 1/20 0.40
▸ MAPK3 P27361 1/20 0.38
▸ CLK1 P49759 1/20 0.38
▸ PIN1 Q13526 1/20 0.38
▸ MAP3K5 Q99683 1/20 0.38

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
SCHEMBL25613094 0.97 CDK2 (0.38) CDK2CDK1CCNB1CCNA2CCNA1
SCHEMBL25613088 0.88 GRM4 (0.40) CDK2CDK1CCNB1CCNA2CCNA1
SCHEMBL25613106 0.84 FEN1 (0.33) CDK2CDK1CCNB1CDK5CCNT1
SCHEMBL25613097 0.84 CHRNB4 (0.39) —
SCHEMBL25613093 0.83 CHRNA3 (0.42) —
SCHEMBL25613105 0.83 JAK2 (0.35) CDK2CDK1CCNB1CDK5CCNT1
SCHEMBL25613114 0.82 CHRNB4 (0.46) —
SCHEMBL25613103 0.81 CHRNA3 (0.42) CDK5
SCHEMBL25613086 0.81 JAK3 (0.46) CDK2CDK1
SCHEMBL25613037 0.80 FEN1 (0.39) CDK1

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-20230159527-A1 COMPOUNDS AS BCL-2 INHIBITORS FOCHON BIOSCIENCES, LTD. (CN) 2023-05-25 — — 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-20230159527-A1 COMPOUNDS AS BCL-2 INHIBITORS BCL2, BCL2L2, BCL2L1 CDK2 51/4885CDK1 514/4885CCNB1 927/4885

“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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