SCHEMBL4931383

SCHEMBL4931383

O=C(NN1CCCCC1)c1ncsc1NCc1c(Cl)cccc1Cl

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CCNA2 P20248 3/20 0.47
CDK2 P24941 3/20 0.47
CCNA1 P78396 3/20 0.47
CDK5 Q00535 3/20 0.47
CDK5R1 Q15078 3/20 0.47
CNR1 P21554 11/20 0.43
CNR2 P34972 5/20 0.41
HTT P42858 1/20 0.40
HDAC3 O15379 1/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC2 Q92769 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40

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
SCHEMBL4935100 0.84 HTT (0.48) CNR1CNR2HTT
SCHEMBL4930535 0.78 ALDH1A1 (0.46) CNR2HTTHDAC3HDAC1HDAC2
SCHEMBL4925490 0.74 CNR1 (0.45) CNR1CNR2
SCHEMBL4933829 0.74 CNR1 (0.41) CNR1CNR2HTT
SCHEMBL4931381 0.73 CDK2 (0.44) CCNA2CDK2CCNA1CDK5CDK5R1
SCHEMBL4934607 0.70 HTT (0.46) CNR1CNR2HTTHDAC3HDAC1
SCHEMBL4934649 0.70 NAMPT (0.48) CDK2CNR1HTT
SCHEMBL4931772 0.69 MAPK1 (0.50) HTT
SCHEMBL9629234 0.68 HTT (0.41) CNR1CNR2HTT
SCHEMBL5171818 0.67 CNR1 (0.44) CNR1CNR2HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080167309-A1 Pharmaceutical Compounds ASTEX THERAPEUTICS, LTD. (UK) 2008-07-10 US claimed
EP-1781647-A2 THIAZOLE AND ISOTHIAZOLE DERIVATIVES AS PROTEIN KINASE INHIBITORS Astex Therapeutics Limited (GB) 2007-05-09 EP claimed
WO-2006008545-A2 THIAZOLE AND ISOTHIAZOLE DERIVATIVES AS PROTEIN KINASE INHIBITORS ASTEX THERAPEUTICS LIMITED (GB) 2006-01-26 WO claimed
US-20080167309-A1 Pharmaceutical Compounds ASTEX THERAPEUTICS, LTD. (UK) 2008-07-10 US disclosed
EP-1781647-A2 THIAZOLE AND ISOTHIAZOLE DERIVATIVES AS PROTEIN KINASE INHIBITORS Astex Therapeutics Limited (GB) 2007-05-09 EP disclosed
WO-2006008545-A2 THIAZOLE AND ISOTHIAZOLE DERIVATIVES AS PROTEIN KINASE INHIBITORS ASTEX THERAPEUTICS LIMITED (GB) 2006-01-26 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-20080167309-A1 Pharmaceutical Compounds CCNO, CDK2, CDK1 CCNA2 9/4885CDK2 2/4885CCNA1 15/4885

“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.