SCHEMBL4934641

SCHEMBL4934641

O=C(NC1CCNCC1)c1ncsc1Nc1cccnc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 7/20 0.49
WNT1 P04628 5/20 0.49
NAMPT P43490 2/20 0.46
POLB P06746 1/20 0.43
PIM1 P11309 1/20 0.41
TYRO3 Q06418 1/20 0.40
SMYD3 Q9H7B4 1/20 0.40
USP2 O75604 1/20 0.39
ALDH1A1 P00352 1/20 0.39
CYP1A2 P05177 1/20 0.39
ALOX15 P16050 1/20 0.39
HIF1A Q16665 1/20 0.39
HSD17B10 Q99714 1/20 0.39
LMNA P02545 1/20 0.39
PTBP1 P26599 1/20 0.39
HTT P42858 1/20 0.39
KLF5 Q13887 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
ADORA2A P29274 1/20 0.39
ADORA2B P29275 1/20 0.39

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
SCHEMBL2829477 0.76 NAMPT (0.56) NAMPTALDH1A1LMNAPTBP1HTT
SCHEMBL22659944 0.74 POLB (0.75) DYRK1AWNT1POLBALDH1A1LMNA
SCHEMBL4935092 0.73 HTR4 (0.43) DYRK1AWNT1PIM1SMYD3ADORA2A
SCHEMBL4934649 0.73 NAMPT (0.48) NAMPTPOLBALDH1A1LMNAPTBP1
SCHEMBL8863954 0.73 ALDH1A1 (0.65) DYRK1AWNT1SMYD3ALDH1A1HTT
SCHEMBL5185053 0.73 NAMPT (0.55) NAMPTALDH1A1CYP1A2HSD17B10LMNA
SCHEMBL4933825 0.72 CDK2 (0.58) DYRK1AWNT1HTR4CCNA2CDK2
SCHEMBL5171813 0.72 CHEK1 (0.43) SMYD3ALDH1A1SMN1; SMN2HTR4
SCHEMBL4934595 0.72 HTR4 (0.48) LMNAADORA2AADORA2BHTR4
SCHEMBL4931381 0.72 CDK2 (0.44) DYRK1AWNT1SMYD3HTR4CCNA2

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 DYRK1A 346/4885WNT1 974/4885NAMPT 1299/4885

“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.