Sugi Predict

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SCHEMBL5438286

SCHEMBL5438286

COc1cc(OC(F)(F)F)ccc1-c1nc2c(C)c[nH]c2cc1C

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CRHR1 P34998 4/20 0.45
▸ RUNX1 Q01196 3/20 0.42
▸ SCN9A Q15858 1/20 0.38
▸ GPR3 P46089 2/20 0.37
▸ GRM7 Q14831 1/20 0.36
▸ HTR1A P08908 1/20 0.35
▸ HTR7 P34969 1/20 0.35
▸ HTR6 P50406 1/20 0.35
▸ PDE4B Q07343 1/20 0.35
▸ SCN5A Q14524 1/20 0.34
▸ ABL1 P00519 1/20 0.34
▸ ALDH1A1 P00352 2/20 0.33
▸ ROCK2 O75116 1/20 0.33
▸ ROCK1 Q13464 1/20 0.33
▸ GAA P10253 1/20 0.33
▸ MAPK1 P28482 1/20 0.33
▸ HTT P42858 1/20 0.33
▸ GFER P55789 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ FOXO1 Q12778 1/20 0.33

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
SCHEMBL4628829 0.76 CRHR1 (0.47) CRHR1RUNX1SCN9AGPR3ABL1
SCHEMBL4626672 0.76 CRHR1 (0.48) CRHR1RUNX1SCN9AGPR3SCN5A
SCHEMBL4878756 0.75 CRHR1 (0.55) CRHR1RUNX1SCN9AGPR3SCN5A
SCHEMBL6081571 0.74 CRHR1 (0.45) CRHR1RUNX1SCN9ASCN5A
SCHEMBL6286387 0.74 CRHR1 (0.61) CRHR1RUNX1SCN9AGPR3
SCHEMBL6343532 0.73 CRHR1 (0.55) CRHR1RUNX1SCN9AGPR3
SCHEMBL4882817 0.73 CRHR1 (0.59) CRHR1RUNX1SCN9AGPR3MAPK1
SCHEMBL5793465 0.73 CRHR1 (0.52) CRHR1RUNX1SCN9AGPR3ABL1
SCHEMBL4881389 0.72 CRHR1 (0.54) CRHR1
SCHEMBL5778772 0.72 CRHR1 (0.49) CRHR1SCN5A

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
JP-2007504271-A — — 2007-03-01 — — JP claimed
EP-1680424-A2 HETEROARYL FUSED PYRIDINES, PYRAZINES AND PYRIMIDINES AS CRF1 RECEPTOR LIGANDS Neurogen Corporation (US) 2006-07-19 — — EP claimed
US-20050113379-A1 Heteroaryl fused pyridines, pyrazines and pyrimidines as CRF1 receptor ligands AVENTIS PHARMACEUTICALS, INC. 2005-05-26 — — US claimed
WO-2005023806-A2 HETEROARYL FUSED PYRIDINES, PYRAZINES AND PYRIMIDINES AS CRF1 RECEPTOR LIGANDS NEUROGEN CORPORATION (US) 2005-03-17 — — WO claimed
US-20060199823-A1 Heteroaryl fused pyridines, pyrazines and pyrimidines as CRF1 receptor ligands NEUROGEN CORPORATION (US) 2006-09-07 — — US disclosed
US-20050113379-A1 Heteroaryl fused pyridines, pyrazines and pyrimidines as CRF1 receptor ligands AVENTIS PHARMACEUTICALS, INC. 2005-05-26 — — 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-20060199823-A1 Heteroaryl fused pyridines, pyrazines and pyrimidines as CRF1 receptor ligands CRHR1, CRHR2, HTR5A CRHR1 1/4885RUNX1 1387/4885SCN9A 4767/4885
US-20050113379-A1 Heteroaryl fused pyridines, pyrazines and pyrimidines as CRF1 receptor ligands CRHR1, CRHR2, HTR5A CRHR1 1/4885RUNX1 1387/4885SCN9A 4767/4885

“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.