SCHEMBL4935100

SCHEMBL4935100

O=C(NN1CCCCC1)c1ncsc1NCc1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.48
MAPK8 P45983 1/20 0.47
MAPK10 P53779 1/20 0.47
CNR1 P21554 7/20 0.43
ADORA2A P29274 1/20 0.43
ADORA2B P29275 1/20 0.43
CNR2 P34972 1/20 0.42
POLB P06746 2/20 0.40
KMT2A Q03164 1/20 0.40
LMNA P02545 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
SCHEMBL4931383 0.84 CCNA2 (0.47) HTTCNR1CNR2
SCHEMBL4930535 0.82 ALDH1A1 (0.46) HTTCNR2KMT2ALMNA
SCHEMBL2826673 0.78 KDM4E (0.52)
SCHEMBL4934607 0.77 HTT (0.46) HTTCNR1CNR2LMNA
SCHEMBL4933829 0.73 CNR1 (0.41) HTTCNR1CNR2POLBKMT2A
SCHEMBL5171818 0.73 CNR1 (0.44) HTTCNR1CNR2POLBLMNA
SCHEMBL4931772 0.73 MAPK1 (0.50) HTTPOLBKMT2ALMNA
SCHEMBL4934649 0.72 NAMPT (0.48) HTTCNR1POLBKMT2ALMNA
SCHEMBL2827013 0.70 MEN1 (0.60) HTTKMT2ALMNA
SCHEMBL9629234 0.70 HTT (0.41) HTTCNR1CNR2POLBLMNA

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 HTT 829/4885MAPK8 390/4885MAPK10 618/4885

“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.