SCHEMBL6792080

SCHEMBL6792080

Fc1ncc2[nH]c(OCC3CCCCC3)nc2n1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4C Q9H3R0 1/20 0.44
CDK2 P24941 12/20 0.39
CDK1 P06493 8/20 0.37
CCNA2 P20248 8/20 0.37
CCNB1 P14635 7/20 0.37
CCNA1 P78396 5/20 0.37
CCNB2 O95067 4/20 0.37
CCNB3 Q8WWL7 4/20 0.37
MAPK3 P27361 1/20 0.37
CLK1 P49759 1/20 0.37
CDK5 Q00535 1/20 0.37
PIN1 Q13526 1/20 0.37
MAP3K5 Q99683 1/20 0.37
PDE5A O76074 1/20 0.35
PDE4A P27815 1/20 0.35
PDE4B Q07343 1/20 0.35
PDE4C Q08493 1/20 0.35
PDE4D Q08499 1/20 0.35
RHEB Q15382 1/20 0.34
CHUK O15111 1/20 0.34

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
SCHEMBL6786300 0.99 KDM4C (0.43) KDM4CCDK2CDK1CCNA2CCNB1
SCHEMBL6791015 0.79 DGAT2 (0.42)
SCHEMBL4360432 0.71 CDK2 (0.60) CDK2CDK1CCNA2CCNB1CCNA1
SCHEMBL28275390 0.69 CDK2 (0.42) KDM4CCDK2CDK1CCNA2CCNB1
SCHEMBL9251890 0.65 PDE5A (0.48) KDM4CPDE5APDE4APDE4BPDE4C
SCHEMBL31439122 0.65 CDK2 (0.72) CDK2CDK1CCNA2CCNB1CCNA1
SCHEMBL6792082 0.61 MAOA (0.33) KDM4CCDK2
SCHEMBL15129025 0.60 MAPK8 (0.46) KDM4CCDK2CDK1
SCHEMBL5417131 0.60 ROCK2 (0.49) CDK2
SCHEMBL13530549 0.60 DCK (0.46) CDK2CDK1CCNA2CCNB1CCNA1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040110775-A1 Cyclin dependent kinase inhibiting purine derivatives CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2004-06-10 US disclosed
EP-1353922-A1 CYCLIN DEPENDENT KINASE INHIBITING PURINE DERIVATIVES Cancer Research Technology Limited (GB) 2003-10-22 EP disclosed
WO-2002059125-A1 CYCLIN DEPENDENT KINASE INHIBITING PURINE DERIVATIVES CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2002-08-01 WO 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-20040110775-A1 Cyclin dependent kinase inhibiting purine derivatives CCNA1, CDKL1, CCNK KDM4C 792/4885CDK2 13/4885CDK1 4/4885

“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.