SCHEMBL1122188

SCHEMBL1122188

CC(=O)Nc1ccc(Oc2cncc(Cl)n2)cc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.63
HTT P42858 2/20 0.59
BRAF P15056 1/20 0.57
SMN1; SMN2 Q16637 4/20 0.52
POLB P06746 2/20 0.51
ALDH1A1 P00352 2/20 0.51
NTRK1 P04629 1/20 0.48
MEN1 O00255 3/20 0.47
ESRRA P11474 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.46
LMNA P02545 2/20 0.45
HPGD P15428 2/20 0.45
PPARG P37231 1/20 0.45
PPARA Q07869 1/20 0.45
MTNR1A P48039 1/20 0.45
MTNR1B P49286 1/20 0.45
ICAM1 P05362 1/20 0.45
SELE P16581 1/20 0.45
CCNC P24863 1/20 0.45
CDK8 P49336 1/20 0.45

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
SCHEMBL11822252 0.86 TSHR (0.51) KMT2AHTTBRAFSMN1; SMN2ALDH1A1
SCHEMBL1122429 0.84 NTRK1 (0.67) KMT2AHTTBRAFSMN1; SMN2ALDH1A1
SCHEMBL1122289 0.84 MAPKAPK2 (0.48) KMT2AHTTBRAFSMN1; SMN2ALDH1A1
SCHEMBL11685290 0.82 HTT (0.56) KMT2AHTTSMN1; SMN2POLBALDH1A1
SCHEMBL1122499 0.81 RAB9A (0.53) KMT2ABRAFSMN1; SMN2ALDH1A1NTRK1
SCHEMBL11823580 0.80 NTRK1 (0.41) KMT2AHTTBRAFSMN1; SMN2ALDH1A1
SCHEMBL11825164 0.78 ALDH1A1 (0.42) KMT2AHTTBRAFALDH1A1NTRK1
SCHEMBL1121930 0.77 ESRRA (0.56) BRAFALDH1A1NTRK1ESRRA
SCHEMBL17354820 0.76 MEN1 (0.50) KMT2AHTTPOLBALDH1A1NTRK1
SCHEMBL11374043 0.76 HTT (0.50) KMT2AHTTBRAFALDH1A1NTRK1

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 KMT2A 2377/4885HTT 4296/4885BRAF 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.