SCHEMBL1122184

SCHEMBL1122184

CC(=O)c1cccc(Oc2cncc(Cl)n2)c1

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
BRAF P15056 2/20 0.56
NTRK1 P04629 1/20 0.56
L3MBTL1 Q9Y468 1/20 0.55
MEN1 O00255 1/20 0.52
KMT2A Q03164 1/20 0.52
ALDH1A1 P00352 1/20 0.46
HTT P42858 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
GRM5 P41594 4/20 0.46
F10 P00742 4/20 0.45
MAOA P21397 2/20 0.45
MAOB P27338 2/20 0.45
F2 P00734 2/20 0.42

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
SCHEMBL959081 0.85 L3MBTL1 (0.75) BRAFL3MBTL1MEN1KMT2AALDH1A1
SCHEMBL1122429 0.83 NTRK1 (0.67) BRAFNTRK1L3MBTL1MEN1KMT2A
SCHEMBL1122499 0.83 RAB9A (0.53) BRAFNTRK1L3MBTL1KMT2AALDH1A1
SCHEMBL11379583 0.79 BRAF (0.51) BRAFNTRK1L3MBTL1MEN1KMT2A
SCHEMBL1122543 0.78 CYP1A2 (0.59) BRAFNTRK1L3MBTL1GRM5F10
SCHEMBL11373674 0.77 NTRK1 (0.50) BRAFNTRK1L3MBTL1MEN1KMT2A
SCHEMBL1122215 0.76 NTRK1 (0.52) BRAFNTRK1L3MBTL1F10
SCHEMBL25620248 0.75 MEN1 (0.71) L3MBTL1MEN1KMT2AALDH1A1MAOA
SCHEMBL11380119 0.75 GRM5 (0.47) NTRK1L3MBTL1GRM5F10
SCHEMBL1122250 0.74 NTRK1 (0.48) BRAFNTRK1L3MBTL1MEN1KMT2A

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 1/4885NTRK1 342/4885L3MBTL1 1528/4885

“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.