SCHEMBL20130838

SCHEMBL20130838

Cc1cc(C(=O)NC(C)(C)C#N)cc(-c2ccc(Cl)cc2)n1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 4/20 0.41
CTRC Q99895 3/20 0.41
CNR2 P34972 2/20 0.40
JAK2 O60674 1/20 0.39
JAK3 P52333 1/20 0.39
ACACB O00763 1/20 0.39
ACACA Q13085 1/20 0.39
SCN9A Q15858 1/20 0.39
ANO1 Q5XXA6 1/20 0.38
CNR1 P21554 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
VCP P55072 1/20 0.38
SCN2A Q99250 1/20 0.37
SCN10A Q9Y5Y9 1/20 0.37
HPGD P15428 2/20 0.37
S1PR1 P21453 1/20 0.37
S1PR3 Q99500 1/20 0.37
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 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
SCHEMBL18389439 0.87 ADORA3 (0.41) ADORA3CTRCCNR2JAK2JAK3
SCHEMBL20127050 0.87 JAK2 (0.41) ADORA3CTRCCNR2JAK2JAK3
SCHEMBL18389331 0.86 CNR1 (0.50) ADORA3CTRCCNR2ACACBACACA
SCHEMBL20130841 0.82 ADORA3 (0.42) ADORA3CTRCCNR2ACACBACACA
SCHEMBL18389420 0.82 L3MBTL1 (0.48) ADORA3CTRCCNR2ACACBACACA
SCHEMBL20130794 0.80 ACACB (0.45) ADORA3CTRCCNR2ACACBACACA
SCHEMBL19207260 0.80 JAK2 (0.40) ADORA3CTRCCNR2JAK2JAK3
SCHEMBL19656291 0.79 SCN10A (0.43) CNR2ANO1MEN1KMT2ASCN10A
SCHEMBL20130797 0.79 ADORA3 (0.40) ADORA3CTRCCNR2JAK2JAK3
SCHEMBL18389520 0.78 JAK2 (0.39) ADORA3CTRCCNR2JAK2JAK3

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
EP-3322699-B1 2-PHENYL-6-IMIDAZOLYL-PYRIDINE-4-CARBOXAMIDE DERIVATIVES AND THEIR USE AS EAAT3 INHIBITORS HOFFMANN LA ROCHE (CH) 2019-05-15 EP disclosed
US-20180125823-A1 IMIDAZOLE DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2018-05-10 US 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-20180125823-A1 IMIDAZOLE DERIVATIVES OXTR, DRD3, MC3R ADORA3 316/4885CTRC 3397/4885CNR2 486/4885

“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.