SCHEMBL1122296

SCHEMBL1122296

Fc1ccccc1Oc1cncc(Cl)n1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRAF P15056 1/20 0.49
KMT2A Q03164 3/20 0.47
MEN1 O00255 2/20 0.47
PIN1 Q13526 1/20 0.42
HTT P42858 3/20 0.41
ALDH1A1 P00352 2/20 0.41
MAP4K4 O95819 1/20 0.40
NTRK1 P04629 1/20 0.40
LMNA P02545 1/20 0.38
ESR1 P03372 1/20 0.37
MAPK1 P28482 1/20 0.37
CDK2 P24941 1/20 0.37
MAPT P10636 1/20 0.36
HTR1A P08908 1/20 0.34
SLC6A2 P23975 1/20 0.34
SLC6A3 Q01959 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
PARP10 Q53GL7 1/20 0.34
CXCL8 P10145 1/20 0.34
CYP11B1 P15538 1/20 0.34

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
SCHEMBL1122090 0.83 ALDH1A1 (0.58) KMT2AHTTALDH1A1MAP4K4NTRK1
SCHEMBL26984943 0.81 SLC6A2 (0.40) BRAFNTRK1SLC6A2SLC6A3L3MBTL1
SCHEMBL30746373 0.81 SLC6A2 (0.40) BRAFNTRK1SLC6A2SLC6A3L3MBTL1
SCHEMBL19510981 0.79 MAP4K4 (0.49) BRAFKMT2AMEN1PIN1HTT
SCHEMBL30350822 0.79 MAP4K4 (0.49) BRAFKMT2AMEN1PIN1HTT
SCHEMBL1122631 0.78 BRAF (0.51) BRAFKMT2AMEN1HTTALDH1A1
SCHEMBL15149228 0.76 MEN1 (0.50) KMT2AMEN1HTTALDH1A1NTRK1
SCHEMBL29387257 0.76 MEN1 (0.50) KMT2AMEN1HTTALDH1A1NTRK1
SCHEMBL11381442 0.75 HTT (0.50) BRAFKMT2AMEN1PIN1HTT
SCHEMBL3270337 0.73 IDO1 (0.42) MAPTPARP10

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 1/4885KMT2A 2377/4885MEN1 2600/4885

“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.