SCHEMBL1122209

SCHEMBL1122209

O=C1CCc2c(Oc3cncc(Cl)n3)cccc21

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
BRAF P15056 6/20 0.56
NTRK1 P04629 1/20 0.37
ABCB1 P08183 2/20 0.36
HPGD P15428 2/20 0.35
PDE4D Q08499 1/20 0.33
S1PR1 P21453 1/20 0.33
CYP19A1 P11511 1/20 0.33
ALDH1A1 P00352 3/20 0.33
KDM4E B2RXH2 1/20 0.33
BRD4 O60885 1/20 0.32
MRGPRX4 Q96LA9 1/20 0.32
GAA P10253 1/20 0.32
HTT P42858 1/20 0.31

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
SCHEMBL12857721 0.92 BRAF (0.58) BRAFNTRK1ABCB1HPGDBRD4
SCHEMBL1122288 0.79 PTK2 (0.45) BRAFNTRK1ABCB1
SCHEMBL1122433 0.73 BRAF (1.00) BRAF
SCHEMBL6182178 0.72 KEAP1 (0.51) BRAFABCB1HPGDS1PR1ALDH1A1
SCHEMBL1122631 0.72 BRAF (0.51) BRAFNTRK1ALDH1A1KDM4EGAA
SCHEMBL1121975 0.71 BRAF (0.56) BRAFNTRK1
SCHEMBL1122267 0.71 BRAF (0.56) BRAFNTRK1CYP19A1BRD4
SCHEMBL1122090 0.70 ALDH1A1 (0.58) NTRK1HPGDALDH1A1HTT
Ethylene SCHEMBL6177711 0.70 KEAP1 (0.49) BRAFABCB1HPGDS1PR1ALDH1A1
SCHEMBL6178103 0.70 ALDH1A1 (0.47) BRAFABCB1HPGDS1PR1CYP19A1

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 7 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
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 342/4885ABCB1 1184/4885

“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.