SCHEMBL8091100

SCHEMBL8091100

Cc1cc(C)cc(-c2sc(C)nc2C)c1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 1/20 0.46
COMT P21964 10/20 0.44
LMNA P02545 1/20 0.44
HTT P42858 1/20 0.44
OPRM1 P35372 2/20 0.44
CDK4 P11802 1/20 0.41
CCNE1 P24864 1/20 0.41
CDK2 P24941 1/20 0.41
MEN1 O00255 3/20 0.39
NPC1 O15118 3/20 0.39
KMT2A Q03164 3/20 0.39
RAB9A P51151 1/20 0.39
ALOX5 P09917 1/20 0.37
NR2F2 P24468 1/20 0.36
GAA P10253 1/20 0.36

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
SCHEMBL14850917 0.87 JAK2 (0.41) JAK2COMTLMNAHTTOPRM1
SCHEMBL327353 0.80 RAB9A (0.51) JAK2COMTOPRM1MEN1NPC1
SCHEMBL8202125 0.79 JAK2 (0.44) JAK2COMTLMNAHTTOPRM1
SCHEMBL327670 0.78 ALOX5 (0.54) JAK2COMTLMNAHTTOPRM1
SCHEMBL2088601 0.77 OPRM1 (0.50) JAK2COMTLMNAHTTOPRM1
SCHEMBL24271824 0.77 RXRA (0.59) JAK2HTTMEN1NPC1KMT2A
SCHEMBL12537263 0.75 COMT (0.52) JAK2COMTLMNAHTTOPRM1
SCHEMBL22130327 0.75 JAK2 (0.55) JAK2COMTLMNAHTTCDK4
SCHEMBL92933 0.74 ALOX5 (0.66) JAK2COMTLMNAHTTCDK4
SCHEMBL327571 0.74 JAK2 (0.54) JAK2COMTLMNAHTTOPRM1

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-8288429-B2 2-aza-bicyclo[3.3.0]octane derivatives ACTELION PHARMACEUTICALS LTD. (CH) 2012-10-16 US disclosed
US-8063099-B2 Trans-3-aza-bicyclo[3.1.0]hexane derivatives ACTELION PHARMACEUTICALS LTD. (CH) 2011-11-22 US disclosed
US-20110009461-A1 2-AZA-BICYCLO[3.3.0]OCTANE DERIVATIVES ACTELION PHARMACEUTICALS LTD. (CH) 2011-01-13 US disclosed
EP-2185512-B1 TRANS-3-AZA-BICYCLO[3.1.0]HEXANE DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2010-12-29 EP disclosed
US-20100204285-A1 TRANS-3-AZA-BICYCLO[3.1.0]HEXANE DERIVATIVES ACTELION PHARMACEUTICALS LTD. (CH) 2010-08-12 US disclosed
WO-2009016560-A2 TRANS-3-AZA-BICYCLO[3.1.0]HEXANE DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2009-02-05 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 (2 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-20100204285-A1 TRANS-3-AZA-BICYCLO[3.1.0]HEXANE DERIVATIVES HCRTR1, HCRTR2, CNR1 JAK2 3541/4885COMT 870/4885LMNA 2389/4885
US-20110009461-A1 2-AZA-BICYCLO[3.3.0]OCTANE DERIVATIVES HCRTR2, HCRTR1, NPY2R JAK2 2350/4885COMT 1864/4885LMNA 2984/4885

“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.