SCHEMBL27112123

SCHEMBL27112123

CC(C)c1nnc2c(C(C)C)cn(C(C)C)c2n1

nearest known ligand 0.33

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ CDK1 P06493 1/20 0.33
▸ CCNB1 P14635 1/20 0.33
▸ CCNE1 P24864 1/20 0.33
▸ CDK2 P24941 1/20 0.33

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
SCHEMBL27112117 0.86 — —
SCHEMBL27112774 0.77 SRC (0.39) CDK1CCNB1CCNE1CDK2
SCHEMBL27112056 0.75 LRRK2 (0.36) CDK1CCNB1CCNE1CDK2
SCHEMBL27112058 0.71 CDK2 (0.35) CDK1CCNB1CCNE1CDK2
SCHEMBL27112049 0.71 — —
SCHEMBL27112778 0.69 CDK1 (0.30) CDK1CCNB1CCNE1CDK2
SCHEMBL27112050 0.68 ADORA2A (0.33) CDK1CCNB1CCNE1CDK2
SCHEMBL12709527 0.66 KDM4E (0.31) —
SCHEMBL21961144 0.66 TYK2 (0.33) —
SCHEMBL12874866 0.66 CCNE2 (0.31) CDK1CCNE1CDK2

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 CDK1 493/4885CCNB1 1676/4885CCNE1 2092/4885

“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.

Send feedback