Sugi Predict

Sugi Predict / Compounds / SCHEMBL279710

SCHEMBL279710

SCHEMBL279710

NC(=O)c1cc(-c2cnc(N[C@H]3CCN(Cc4ccccc4)C3)c3ncnn23)co1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ RIPK1 Q13546 4/20 0.43
▸ SCN1A P35498 2/20 0.42
▸ SCN8A Q9UQD0 2/20 0.42
▸ JAK2 O60674 3/20 0.41
▸ JAK3 P52333 3/20 0.41
▸ JAK1 P23458 2/20 0.41
▸ TYK2 P29597 1/20 0.41
▸ MAPKAPK5 Q8IW41 1/20 0.40
▸ DRD2 P14416 3/20 0.40
▸ DRD4 P21917 3/20 0.40
▸ CYP3A4 P08684 1/20 0.39
▸ ROCK2 O75116 2/20 0.39
▸ MEN1 O00255 1/20 0.38
▸ OPRK1 P41145 1/20 0.38

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
SCHEMBL274317 1.00 RIPK1 (0.43) RIPK1SCN1ASCN8AJAK2JAK3
SCHEMBL274996 0.95 JAK2 (0.44) RIPK1JAK2JAK3JAK1TYK2
SCHEMBL275414 0.86 MAPKAPK5 (0.55) SCN1ASCN8AJAK2JAK3JAK1
SCHEMBL279816 0.86 MAPKAPK5 (0.55) SCN1ASCN8AJAK2JAK3JAK1
SCHEMBL275799 0.82 MAPKAPK5 (0.43) JAK2TYK2MAPKAPK5
SCHEMBL280096 0.81 MAPKAPK5 (0.56) JAK2JAK3JAK1TYK2MAPKAPK5
SCHEMBL276233 0.77 ROCK2 (0.48) SCN1ASCN8ACYP3A4ROCK2MEN1
SCHEMBL2060600 0.72 MAPKAPK5 (0.41) MAPKAPK5MEN1
SCHEMBL12443816 0.71 DRD2 (0.51) RIPK1JAK2MAPKAPK5DRD2DRD4
SCHEMBL2218383 0.71 DRD2 (0.51) RIPK1JAK2MAPKAPK5DRD2DRD4

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-8138193-B2 Fused pyrazine compounds useful for the treatment of degenerative and inflammatory diseases JANSSEN PHARMACEUTICA N.V. (BE) 2012-03-20 — — US disclosed
US-8138193-B2 Fused pyrazine compounds useful for the treatment of degenerative and inflammatory diseases JANSSEN PHARMACEUTICA N.V. (BE) 2012-03-20 — — US disclosed
US-8133895-B2 Fused pyrazine compounds useful for the treatment of degenerative and inflammatory diseases JANSSEN PHARMACEUTICA N.V. (BE) 2012-03-13 — — US disclosed
US-20100240666-A1 FUSED PYRAZINE COMPOUNDS USEFUL FOR THE TREATMENT OF DEGENERATIVE AND INFLAMMATORY DISEASES ANDREWS MARTIN JAMES INGLIS 2010-09-23 — — US disclosed
US-20100240666-A1 FUSED PYRAZINE COMPOUNDS USEFUL FOR THE TREATMENT OF DEGENERATIVE AND INFLAMMATORY DISEASES ANDREWS MARTIN JAMES INGLIS 2010-09-23 — — US disclosed
US-20090131446-A1 Fused pyrazine compounds useful for the treatment of degenerative and inflmmatory diseases GALAPAGOS, N.V. (BE) 2009-05-21 — — 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 (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-20090131446-A1 Fused pyrazine compounds useful for the treatment of degenerative and inflmmatory diseases NOD1, TNF, NOD2 RIPK1 47/4885SCN1A 4317/4885SCN8A 4823/4885
US-20100240666-A1 FUSED PYRAZINE COMPOUNDS USEFUL FOR THE TREATMENT OF DEGENERATIVE AND INFLAMMATORY DISEASES RRP15, RARS2, RO60 RIPK1 481/4885SCN1A 4152/4885SCN8A 4456/4885

“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.