SCHEMBL12457045

SCHEMBL12457045

CCn1cc(C(C)C)c2nc(N)ncc21

nearest known ligand 0.38

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ DHFR P00374 1/20 0.36
▸ CDK1 P06493 1/20 0.36
▸ CCNB1 P14635 1/20 0.36
▸ CCNE1 P24864 1/20 0.36
▸ CDK2 P24941 1/20 0.36
▸ P2RX3 P56373 8/20 0.35
▸ P2RX2 Q9UBL9 8/20 0.35
▸ MAPKAPK2 P49137 1/20 0.32

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
SCHEMBL12456445 0.87 CDK1 (0.35) CDK1CCNB1CCNE1CDK2MAPKAPK2
SCHEMBL27112701 0.83 SRC (0.35) —
SCHEMBL10268684 0.80 CDK1 (0.38) CDK1CCNB1CCNE1CDK2MAPKAPK2
SCHEMBL10212549 0.80 MAPKAPK2 (0.44) DHFRP2RX3P2RX2MAPKAPK2
SCHEMBL12393901 0.70 MAPKAPK2 (0.41) MAPKAPK2
SCHEMBL21663044 0.69 PIK3CD (0.36) DHFRP2RX3P2RX2
SCHEMBL27112892 0.68 LRRK2 (0.32) CDK1CCNB1CCNE1CDK2
SCHEMBL19733383 0.68 ADORA2A (0.47) CDK1CCNB1CCNE1CDK2
SCHEMBL27112774 0.66 SRC (0.39) CDK1CCNB1CCNE1CDK2
SCHEMBL24797317 0.65 CDK1 (0.33) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8008481-B2 Indazole compounds ABBVIE INC. 2011-08-30 — — US disclosed
US-20070282101-A1 Indazole compounds ABBVIE INC. 2007-12-06 — — 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-20070282101-A1 Indazole compounds CYP3A43, CYP3A7, UGT1A1 DHFR 344/4885CDK1 540/4885CCNB1 925/4885

“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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