SCHEMBL4925482

SCHEMBL4925482

O=C(NC1CCNCC1)c1ncsc1NC(=O)c1c(Cl)cc(Cl)cc1Cl

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 6/20 0.45
CCNA2 P20248 4/20 0.45
CDK5 Q00535 3/20 0.45
CCNA1 P78396 3/20 0.45
CCNT1 O60563 2/20 0.45
CDK9 P50750 2/20 0.45
CDK5R1 Q15078 2/20 0.45
CDK4 P11802 2/20 0.45
CDK1 P06493 2/20 0.45
CCNB1 P14635 2/20 0.45
CASK O14936 1/20 0.45
CDKL5 O76039 1/20 0.45
CDK14 O94921 1/20 0.45
CCNB2 O95067 1/20 0.45
MAK P20794 1/20 0.45
CDK11B P21127 1/20 0.45
CCND1 P24385 1/20 0.45
CCNE1 P24864 1/20 0.45
CCND3 P30281 1/20 0.45
CLK1 P49759 1/20 0.45

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
Hydrochloric Acid SCHEMBL4934603 0.99 CDK2 (0.44) CDK2CCNA2CDK5CCNA1CCNT1
SCHEMBL4933825 0.80 CDK2 (0.58) CDK2CCNA2CDK5CCNA1CCNT1
SCHEMBL5171705 0.80 HTR4 (0.44) HTR4ACKR3
SCHEMBL14114414 0.80 CD38 (0.40) CDK2CCNA2
SCHEMBL4934112 0.80 CD38 (0.40) CDK2CCNA2
SCHEMBL4931435 0.77 ANO1 (0.40)
SCHEMBL4934125 0.75 MAPKAPK2 (0.52)
SCHEMBL4931381 0.75 CDK2 (0.44) CDK2CCNA2CDK5CCNA1CCNT1
SCHEMBL4929083 0.73 PTPRC (0.49)
SCHEMBL14114413 0.73 F10 (0.41) CDK2CCNA2CDK9CDK4CCND1

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 8 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
US-20080167309-A1 Pharmaceutical Compounds ASTEX THERAPEUTICS, LTD. (UK) 2008-07-10 US disclosed
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 CDK2 2/4885CCNA2 9/4885CDK5 25/4885

“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.