SCHEMBL8205308

SCHEMBL8205308

CCc1nc(C)c(-c2cccc(C)c2)s1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 17/20 0.62
COMT P21964 1/20 0.48
IKBKB O14920 1/20 0.47
MAPK13 O15264 1/20 0.47
PRKD3 O94806 1/20 0.47
MAP4K4 O95819 1/20 0.47
EGFR P00533 1/20 0.47
MAPK1 P28482 1/20 0.47
FLT4 P35916 1/20 0.47
KDR P35968 1/20 0.47
FRK P42685 1/20 0.47
MAPK8 P45983 1/20 0.47
MAPK9 P45984 1/20 0.47
CSNK1A1 P48729 1/20 0.47
CSNK1D P48730 1/20 0.47
CSNK1E P49674 1/20 0.47
MAPK12 P53778 1/20 0.47
CSNK1G2 P78368 1/20 0.47
PTK6 Q13882 1/20 0.47
ERBB4 Q15303 1/20 0.47

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
SCHEMBL13541521 0.86 MAPK14 (0.47) MAPK14IKBKBMAPK13PRKD3MAP4K4
SCHEMBL10271986 0.83 COMT (0.53) MAPK14COMTOPRM1
SCHEMBL14364223 0.82 MAPK14 (0.44) MAPK14
SCHEMBL8205810 0.81 MAPK14 (0.43) MAPK14
SCHEMBL327353 0.80 RAB9A (0.51) MAPK14COMTOPRM1
SCHEMBL8089275 0.78 ALDH1A1 (0.44) MAPK14MAPK1
SCHEMBL3731077 0.78 MAPK14 (0.55) MAPK14IKBKBMAPK13PRKD3MAP4K4
SCHEMBL30242346 0.77 MAPK14 (1.00) MAPK14IKBKBMAPK13PRKD3MAP4K4
SCHEMBL8083511 0.77 MEN1 (0.54) MAPK14MAPK1
SCHEMBL9954402 0.77 KMT2A (0.47) MAPK14MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100016401-A1 3-AZA-BICYCLO[3.1.0]HEXANE DERIVATIVES Actelion Phamaceuticals Ltd. (CH) 2010-01-21 US disclosed
WO-2008038251-A2 3-AZA-BICYCLO[3.1.0]HEXANE DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2008-04-03 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-20100016401-A1 3-AZA-BICYCLO[3.1.0]HEXANE DERIVATIVES HCRTR1, HCRTR2, CNR1 MAPK14 3148/4885COMT 1358/4885IKBKB 1142/4885

“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.