SCHEMBL27112774

SCHEMBL27112774

CCn1cc(C(C)C)c2nnc(C(C)C)nc21

nearest known ligand 0.39

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ SRC P12931 4/20 0.39
▸ CDK1 P06493 1/20 0.31
▸ CCNB1 P14635 1/20 0.31
▸ CCNE1 P24864 1/20 0.31
▸ CDK2 P24941 1/20 0.31

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
SCHEMBL27113218 0.87 SRC (0.33) SRC
SCHEMBL27112123 0.77 CDK1 (0.33) CDK1CCNB1CCNE1CDK2
SCHEMBL27112701 0.73 SRC (0.35) SRC
SCHEMBL27113286 0.73 LRRK2 (0.39) SRC
SCHEMBL27112892 0.70 LRRK2 (0.32) SRCCDK1CCNB1CCNE1CDK2
SCHEMBL27112117 0.67 — —
SCHEMBL12457045 0.66 DHFR (0.36) CDK1CCNB1CCNE1CDK2
SCHEMBL18993230 0.61 DYRK1A (0.49) —
SCHEMBL19733383 0.60 ADORA2A (0.47) CDK1CCNB1CCNE1CDK2
SCHEMBL27112778 0.60 CDK1 (0.30) CDK1CCNB1CCNE1CDK2

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-20240066027-A1 NOVEL PAR-2 INHIBITORS DOMAIN THERAPEUTICS (FR) 2024-02-29 — — 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-20240066027-A1 NOVEL PAR-2 INHIBITORS F2RL1, F2R, F2RL3 SRC 4108/4885CDK1 493/4885CCNB1 1676/4885

“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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