SCHEMBL15440766

SCHEMBL15440766

Nc1nccc([C@@H]2CCCNC2)n1

nearest known ligand 0.52

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ CHEK1 O14757 8/20 0.52
▸ CDK2 P24941 7/20 0.52
▸ CCNA2 P20248 6/20 0.52
▸ CCNA1 P78396 6/20 0.52
▸ HRH3 Q9Y5N1 2/20 0.47
▸ HRH4 Q9H3N8 1/20 0.44
▸ CDK1 P06493 1/20 0.44
▸ MAP3K12 Q12852 1/20 0.43
▸ ROCK2 O75116 1/20 0.42

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
SCHEMBL20502510 1.00 CHEK1 (0.52) CHEK1CDK2CCNA2CCNA1HRH3
SCHEMBL23292181 0.90 HRH3 (0.53) CHEK1CDK2CCNA2CCNA1HRH3
SCHEMBL1270087 0.81 HRH4 (0.49) HRH3HRH4
SCHEMBL28317093 0.81 HRH4 (0.44) HRH3HRH4
SCHEMBL15587845 0.81 MAP3K12 (0.54) CHEK1CDK2CCNA2CCNA1MAP3K12
SCHEMBL20292302 0.80 HRH4 (0.57) CDK2HRH3HRH4CDK1ROCK2
SCHEMBL1334272 0.80 HRH4 (0.47) HRH3HRH4
SCHEMBL29515034 0.79 CHEK1 (0.43) CHEK1CDK2CCNA2CCNA1HRH3
SCHEMBL23612242 0.78 CHEK1 (0.52) CHEK1CDK2CCNA2CCNA1MAP3K12
SCHEMBL29988658 0.78 CHEK1 (0.52) CHEK1CDK2CCNA2CCNA1MAP3K12

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-9090593-B2 Bicyclic compounds as Pim inhibitors AMGEN INC. (US) 2015-07-28 — — US disclosed
US-20140031360-A1 BICYCLIC COMPOUNDS AS PIM INHIBITORS AMGEN INC. (US) 2014-01-30 — — 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-20140031360-A1 BICYCLIC COMPOUNDS AS PIM INHIBITORS PIM1, PIM2, PIM3 CHEK1 1068/4885CDK2 44/4885CCNA2 1027/4885

“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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