SCHEMBL1122507

SCHEMBL1122507

CC(=O)Nc1ccc(Oc2cncc(Cl)n2)c2ccccc12

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRAF P15056 6/20 0.61
RAF1 P04049 3/20 0.61
ESRRA P11474 3/20 0.44
RXFP1 Q9HBX9 1/20 0.44
CYP2D6 P10635 1/20 0.42
KMT2A Q03164 1/20 0.40
NTRK1 P04629 1/20 0.39
PPARG P37231 1/20 0.39
PPARA Q07869 1/20 0.39
SIRT2 Q8IXJ6 1/20 0.38
SIRT1 Q96EB6 1/20 0.38
SIRT3 Q9NTG7 1/20 0.38
ALDH1A1 P00352 2/20 0.37
KDM4E B2RXH2 1/20 0.37
MAPT P10636 1/20 0.37
HPGD P15428 1/20 0.37
TSHR P16473 1/20 0.37
HTT P42858 1/20 0.36
KDR P35968 1/20 0.36
MAPK14 Q16539 1/20 0.36

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
SCHEMBL1122223 0.93 BRAF (0.61) BRAFRAF1ESRRARXFP1KMT2A
SCHEMBL6403183 0.79 RXFP1 (0.62) BRAFRAF1ESRRARXFP1CYP2D6
SCHEMBL1122470 0.76 BRAF (1.00) BRAFRAF1
SCHEMBL1121930 0.76 ESRRA (0.56) BRAFRAF1ESRRANTRK1ALDH1A1
SCHEMBL7859963 0.74 ESRRA (0.58) BRAFRAF1ESRRARXFP1CYP2D6
SCHEMBL1122188 0.72 KMT2A (0.63) BRAFESRRAKMT2ANTRK1PPARG
SCHEMBL1122849 0.72 BRAF (1.00) BRAFRAF1
SCHEMBL8027669 0.72 RXFP1 (0.60) BRAFRAF1RXFP1CYP2D6KMT2A
SCHEMBL1122429 0.71 NTRK1 (0.67) BRAFKMT2ANTRK1ALDH1A1HTT
SCHEMBL28632119 0.70 RXFP1 (0.58) ESRRARXFP1CYP2D6KMT2AALDH1A1

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
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

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 1/4885RAF1 2/4885ESRRA 887/4885

“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.