SCHEMBL1122267

SCHEMBL1122267

O=C1CCc2ccc(Oc3cncc(Cl)n3)cc21

nearest known ligand 0.56

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
BRAF P15056 6/20 0.56
HRH3 Q9Y5N1 2/20 0.40
NTRK1 P04629 1/20 0.39
PPARG P37231 1/20 0.39
PPARA Q07869 1/20 0.39
MAOA P21397 3/20 0.39
MAOB P27338 3/20 0.39
PBRM1 Q86U86 1/20 0.39
BRD4 O60885 1/20 0.37
USP7 Q93009 1/20 0.34
CYP19A1 P11511 2/20 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
SCHEMBL1121975 0.90 BRAF (0.56) BRAFHRH3NTRK1PPARGPPARA
SCHEMBL12857868 0.82 BRAF (0.58) BRAFMAOAMAOB
SCHEMBL1122489 0.73 BRAF (1.00) BRAF
SCHEMBL6180267 0.72 KDM4E (0.52) BRAFHRH3MAOAMAOBPBRM1
SCHEMBL1122288 0.71 PTK2 (0.45) BRAFNTRK1
SCHEMBL1122209 0.71 BRAF (0.56) BRAFNTRK1BRD4CYP19A1
SCHEMBL11375970 0.70 HTT (0.53) NTRK1PPARGPPARAMAOAMAOB
SCHEMBL12857918 0.69 CA12 (0.50) MAOAMAOB
SCHEMBL11383417 0.69 ALDH1A1 (0.48) NTRK1PPARGPPARAMAOAMAOB
SCHEMBL6179822 0.68 HSPB1 (0.55) BRAFHRH3PPARGBRD4

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 7 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
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 1/4885HRH3 1543/4885NTRK1 342/4885

“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.