SCHEMBL1122223

SCHEMBL1122223

CC(=O)Nc1cccc2c(Oc3cncc(Cl)n3)cccc12

nearest known ligand 0.61

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
BRAF P15056 6/20 0.61
RAF1 P04049 3/20 0.55
NTRK1 P04629 1/20 0.43
SIRT2 Q8IXJ6 5/20 0.42
SIRT1 Q96EB6 5/20 0.42
SIRT3 Q9NTG7 5/20 0.42
ESRRA P11474 3/20 0.42
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
RXFP1 Q9HBX9 1/20 0.38
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
MAPT P10636 1/20 0.37
HPGD P15428 1/20 0.37

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
SCHEMBL1122507 0.93 BRAF (0.61) BRAFRAF1NTRK1SIRT2SIRT1
SCHEMBL1121930 0.81 ESRRA (0.56) BRAFRAF1NTRK1ESRRAALDH1A1
SCHEMBL12857665 0.76 BRAF (1.00) BRAFRAF1
SCHEMBL1122429 0.76 NTRK1 (0.67) BRAFNTRK1MEN1KMT2AALDH1A1
SCHEMBL1122326 0.72 BRAF (1.00) BRAFRAF1
SCHEMBL1122188 0.72 KMT2A (0.63) BRAFNTRK1ESRRAMEN1KMT2A
SCHEMBL1122503 0.72 BRAF (1.00) BRAFRAF1MEN1KMT2AKDM4E
SCHEMBL8029704 0.72 KMT2A (0.55) BRAFMEN1KMT2ARXFP1KDM4E
SCHEMBL1900214 0.71 RXFP1 (0.66) MEN1KMT2ARXFP1KDM4EALDH1A1
SCHEMBL6403183 0.70 RXFP1 (0.62) BRAFRAF1ESRRAMEN1KMT2A

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 1/4885RAF1 2/4885NTRK1 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.