SCHEMBL1122587

SCHEMBL1122587

Clc1cncc(Oc2cccc3ncccc23)n1

nearest known ligand 0.55

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
BRAF P15056 3/20 0.55
HTT P42858 2/20 0.41
ALDH1A1 P00352 1/20 0.41
KDM4E B2RXH2 2/20 0.37
MAPT P10636 1/20 0.37
SCN9A Q15858 1/20 0.36
CACNA2D1 P54289 2/20 0.36
NTRK1 P04629 1/20 0.36
GPBAR1 Q8TDU6 1/20 0.36
NR3C1 P04150 1/20 0.35
CYP3A4 P08684 1/20 0.35
FABP5 Q01469 1/20 0.34
LMNA P02545 1/20 0.34

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
SCHEMBL1122144 0.90 BRAF (0.54) BRAFHTTALDH1A1KDM4EMAPT
SCHEMBL1122961 0.77 BRAF (0.53) BRAFHTTALDH1A1KDM4EMAPT
SCHEMBL3877530 0.76 BRAF (0.42) BRAFKDM4EMAPTSCN9ACACNA2D1
SCHEMBL16430764 0.76 MEN1 (0.47) BRAFHTTALDH1A1MAPTSCN9A
SCHEMBL12790184 0.74 GAA (0.39) BRAFKDM4ESCN9ACACNA2D1GPBAR1
SCHEMBL12790182 0.74 GAA (0.39) BRAFKDM4ESCN9ACACNA2D1GPBAR1
SCHEMBL1122090 0.72 ALDH1A1 (0.58) HTTALDH1A1NTRK1LMNA
SCHEMBL1122325 0.72 BRAF (0.55) BRAFHTTALDH1A1KDM4EMAPT
SCHEMBL12857878 0.71 BRAF (1.00) BRAF
SCHEMBL1122296 0.70 BRAF (0.49) BRAFHTTALDH1A1MAPTNTRK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1831184-B1 PYRAZINES AND PYRIDINES AND DERIVATIVES THEREOF AS THERAPEUTIC COMPOUNDS WELLCOME TRUST LTD (GB) 2011-02-09 EP disclosed
EP-1831184-B1 PYRAZINES AND PYRIDINES AND DERIVATIVES THEREOF AS THERAPEUTIC COMPOUNDS WELLCOME TRUST LTD (GB) 2011-02-09 EP disclosed
US-7737152-B2 6-carboaryl-oxy-pyrazin-2-yl-carboaryl-amines and compositions comprising said compounds THE WELLCOME TRUST LIMITED (GB) 2010-06-15 US disclosed
US-20080015191-A1 Pyrazines and Pyridines and Derivatives Thereof as Therapeutic Compounds THE WELLCOME TRUST LIMITED (UK) 2008-01-17 US disclosed
US-20080015191-A1 Pyrazines and Pyridines and Derivatives Thereof as Therapeutic Compounds THE WELLCOME TRUST LIMITED (UK) 2008-01-17 US disclosed
US-20080015191-A1 Pyrazines and Pyridines and Derivatives Thereof as Therapeutic Compounds THE WELLCOME TRUST LIMITED (UK) 2008-01-17 US disclosed
EP-1831184-A2 PYRAZINES AND PYRIDINES AND DERIVATIVES THEREOF AS THERAPEUTIC COMPOUNDS The Wellcome Trust Limited (GB) 2007-09-12 EP disclosed
WO-2006067466-A2 PYRAZINES AND PYRIDINES AND DERIVATIVES THEREOF AS THERAPEUTIC COMPOUNDS THE WELLCOME TRUST LIMITED (GB) 2006-06-29 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 (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-20080015191-A1 Pyrazines and Pyridines and Derivatives Thereof as Therapeutic Compounds BRAF, RAF1, BCOR BRAF 1/4885HTT 4296/4885ALDH1A1 1620/4885

“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.