SCHEMBL1121930

SCHEMBL1121930

CC(=O)Nc1ccc2c(Oc3cncc(Cl)n3)cccc2c1

nearest known ligand 0.56

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ESRRA P11474 3/20 0.56
NTRK1 P04629 1/20 0.48
BRAF P15056 11/20 0.46
FABP7 O15540 1/20 0.46
FABP3 P05413 1/20 0.46
FABP5 Q01469 1/20 0.46
RAF1 P04049 3/20 0.42
ALDH1A1 P00352 1/20 0.42
HSD17B1 P14061 1/20 0.40
HSD17B2 P37059 1/20 0.40
PIP4K2A P48426 1/20 0.40
PIP4K2B P78356 1/20 0.40

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
SCHEMBL1122429 0.82 NTRK1 (0.67) NTRK1BRAFALDH1A1PIP4K2APIP4K2B
SCHEMBL1122223 0.81 BRAF (0.61) ESRRANTRK1BRAFRAF1ALDH1A1
SCHEMBL12857532 0.79 BRAF (0.76) BRAFRAF1
SCHEMBL1122188 0.77 KMT2A (0.63) ESRRANTRK1BRAFALDH1A1
SCHEMBL1122507 0.76 BRAF (0.61) ESRRANTRK1BRAFRAF1ALDH1A1
SCHEMBL27695812 0.72 FABP7 (0.54) ESRRAFABP7FABP3FABP5ALDH1A1
SCHEMBL1122961 0.72 BRAF (0.53) NTRK1BRAFALDH1A1
SCHEMBL1122184 0.69 BRAF (0.56) NTRK1BRAFALDH1A1
SCHEMBL1121851 0.69 BRAF (0.72) BRAF
SCHEMBL1122275 0.68 HSD17B1 (0.76) FABP7FABP3FABP5ALDH1A1HSD17B1

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 ESRRA 887/4885NTRK1 342/4885BRAF 1/4885

“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.