SCHEMBL4871665

SCHEMBL4871665

CSCCn1cc(Cl)nc(Cl)c1=O

nearest known ligand 0.35

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 4/20 0.35
BAZ2A Q9UIF9 1/20 0.32
ALDH1A1 P00352 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32

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
SCHEMBL923979 0.77 BRD4 (0.36) BRD4BAZ2AALDH1A1SMN1; SMN2
SCHEMBL28746277 0.75 BRD4 (0.35) BRD4BAZ2AALDH1A1SMN1; SMN2
SCHEMBL28941744 0.73 BRD4 (0.34) BRD4ALDH1A1
SCHEMBL16644650 0.71 CNOT7 (0.38) BRD4BAZ2AALDH1A1
SCHEMBL859740 0.70 BRD4 (0.39) BRD4BAZ2AALDH1A1SMN1; SMN2
SCHEMBL4868011 0.69 CRHR1 (0.42)
SCHEMBL644097 0.68 ALDH1A1 (0.59) BRD4ALDH1A1SMN1; SMN2
SCHEMBL16640633 0.66 BRD4 (0.43) BRD4ALDH1A1SMN1; SMN2
SCHEMBL18866838 0.62 ALDH1A1 (0.32) ALDH1A1SMN1; SMN2
SCHEMBL13515074 0.62 ALDH1A1 (0.33) ALDH1A1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7319100-B2 Substituted pyrazinones, pyridines and pyrimidines as corticotropin releasing factor ligands BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2008-01-15 US disclosed
US-20070155740-A1 SUBSTITUTED PYRAZINONES, PYRIDINES AND PYRIMIDINES AS CORTICOTROPIN RELEASING FACTOR LIGANDS BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2007-07-05 US disclosed
US-7205306-B2 Substituted pyrazinones, pyridines and pyrimidines as corticotropin releasing factor ligands BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2007-04-17 US disclosed
EP-1392309-B1 SUBSTITUTED PYRAZINONES, PYRIDINES AND PYRIMIDINES AS CORTICOTROPIN RELEASING FACTOR LIGANDS BRISTOL MYERS SQUIBB CO (US) 2007-01-17 EP disclosed
US-20030171380-A1 Substituted pyrazinones, pyridines and pyrimidines as corticotropin releasing factor ligands BRISTOL-MYERS SQUIBB PHARMA COMPANY, (FORMERLY D/B/A DUPONT PHARMACEUTICALS COMPANY) 2003-09-11 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-20030171380-A1 Substituted pyrazinones, pyridines and pyrimidines as corticotropin releasing factor ligands CRH, CRHR1, CRHR2 BRD4 1845/4885BAZ2A 2066/4885ALDH1A1 2333/4885
US-20070155740-A1 SUBSTITUTED PYRAZINONES, PYRIDINES AND PYRIMIDINES AS CORTICOTROPIN RELEASING FACTOR LIGANDS CRH, CRHR1, CRHR2 BRD4 1788/4885BAZ2A 1904/4885ALDH1A1 2429/4885

“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.