SCHEMBL27112892

SCHEMBL27112892

CCn1cc(C(C)C)c2nc(C(C)C)cnc21

nearest known ligand 0.32

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ LRRK2 Q5S007 1/20 0.32
▸ ADORA2A P29274 1/20 0.31
▸ ADORA1 P30542 1/20 0.31
▸ PI4KA P42356 1/20 0.31
▸ PI4K2B Q8TCG2 1/20 0.31
▸ PI4K2A Q9BTU6 1/20 0.31
▸ PI4KB Q9UBF8 1/20 0.31
▸ CDK1 P06493 1/20 0.30
▸ CCNB1 P14635 1/20 0.30
▸ CCNE1 P24864 1/20 0.30
▸ CDK2 P24941 1/20 0.30
▸ SRC P12931 1/20 0.30

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
SCHEMBL27112050 0.78 ADORA2A (0.33) ADORA2AADORA1PI4KAPI4K2BPI4K2A
SCHEMBL27113218 0.73 SRC (0.33) SRC
SCHEMBL27112774 0.70 SRC (0.39) CDK1CCNB1CCNE1CDK2SRC
SCHEMBL27113286 0.69 LRRK2 (0.39) LRRK2SRC
SCHEMBL27112701 0.69 SRC (0.35) SRC
SCHEMBL27112058 0.68 CDK2 (0.35) CDK1CCNB1CCNE1CDK2
SCHEMBL12457045 0.68 DHFR (0.36) CDK1CCNB1CCNE1CDK2
SCHEMBL24916180 0.66 MTNR1A (0.38) LRRK2
SCHEMBL27112702 0.65 ADORA2A (0.30) ADORA2AADORA1PI4KAPI4K2BPI4K2A
SCHEMBL18993230 0.64 DYRK1A (0.49) —

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 LRRK2 3008/4885ADORA2A 1027/4885ADORA1 1439/4885

“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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