SCHEMBL13941410

SCHEMBL13941410

Cn1cc2ccc(=O)n(C)c2nc1=O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK4 P11802 1/20 0.42
CCND1 P24385 1/20 0.42
CCND2 P30279 1/20 0.42
CCND3 P30281 1/20 0.42
BRPF1 P55201 4/20 0.41
CA12 O43570 1/20 0.41
BRD4 O60885 1/20 0.41
CA9 Q16790 1/20 0.41
KAT2B Q92831 1/20 0.41
BRD9 Q9H8M2 1/20 0.41
ADORA1 P30542 1/20 0.35
MAPK8 P45983 1/20 0.32
MAPK9 P45984 1/20 0.32
MAPK10 P53779 1/20 0.32
ALDH1A1 P00352 3/20 0.32
KDM4E B2RXH2 2/20 0.32
CYP1A2 P05177 3/20 0.32
HPGD P15428 2/20 0.32
HSD17B10 Q99714 2/20 0.32
BLM P54132 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
SCHEMBL21284819 0.72 CCR1 (0.45) CDK4CCND1CCND2CCND3BRPF1
SCHEMBL5701185 0.72 CDK4 (0.41) CDK4CCND1CCND2CCND3BRPF1
SCHEMBL5364876 0.71 CDK4 (0.43) CDK4CCND1CCND2CCND3BRPF1
SCHEMBL25462029 0.68 CDK4 (0.55) CDK4CCND1CCND2CCND3BRPF1
SCHEMBL26142007 0.68 CDK4 (0.41) CDK4CCND1CCND2CCND3BRPF1
SCHEMBL29861616 0.68 CDK4 (0.55) CDK4CCND1CCND2CCND3BRPF1
SCHEMBL19231458 0.68 MTNR1A (0.46) CDK4CCND1CCND2CCND3BRPF1
SCHEMBL19231460 0.67 CDC7 (0.44) CDK4CCND1CCND2CCND3BRPF1
SCHEMBL19231465 0.67 CDK4 (0.43) CDK4CCND1CCND2CCND3BRPF1
SCHEMBL6802377 0.67 CDK4 (0.54) CDK4CCND1CCND2CCND3BRPF1

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-8802840-B2 Bicyclic nucleosides and nucleotides as therapeutic agents BIOTA SCIENTIFIC MANAGEMENT PTY LTD. (AU) 2014-08-12 US disclosed
US-20090004138-A1 Bicyclic Nucleosides and Nucleotides as Therapeutic Agents BIOTA SCIENTIFIC MANAGEMENT PTY LTD (AU) 2009-01-01 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-20090004138-A1 Bicyclic Nucleosides and Nucleotides as Therapeutic Agents SLC29A2, NT5C2, NUDT1 CDK4 1186/4885CCND1 1585/4885CCND2 991/4885

“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.