SCHEMBL1122429

SCHEMBL1122429

CC(=O)Nc1cccc(Oc2cncc(Cl)n2)c1

nearest known ligand 0.67

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NTRK1 P04629 5/20 0.67
BRAF P15056 5/20 0.61
PIP4K2A P48426 1/20 0.51
PIP4K2B P78356 1/20 0.51
MEN1 O00255 3/20 0.48
KMT2A Q03164 3/20 0.48
ALDH1A1 P00352 1/20 0.47
NPC1 O15118 1/20 0.47
LMNA P02545 1/20 0.47
TP53 P04637 1/20 0.47
GAA P10253 1/20 0.47
MAPK1 P28482 1/20 0.47
HTT P42858 1/20 0.47
RAB9A P51151 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
FYN P06241 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.46
NR2E3 Q9Y5X4 1/20 0.46

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
SCHEMBL1122188 0.84 KMT2A (0.63) NTRK1BRAFMEN1KMT2AALDH1A1
SCHEMBL1122184 0.83 BRAF (0.56) NTRK1BRAFMEN1KMT2AALDH1A1
SCHEMBL1121930 0.82 ESRRA (0.56) NTRK1BRAFPIP4K2APIP4K2BALDH1A1
SCHEMBL3650109 0.77 CDK8 (0.57) PIP4K2APIP4K2BMEN1KMT2ANPC1
SCHEMBL14338249 0.76 MTNR1B (0.69) PIP4K2APIP4K2BMEN1KMT2AALDH1A1
SCHEMBL1122171 0.76 BRAF (1.00) BRAFFYN
SCHEMBL1122223 0.76 BRAF (0.61) NTRK1BRAFMEN1KMT2AALDH1A1
SCHEMBL11379583 0.76 BRAF (0.51) NTRK1BRAFMEN1KMT2AALDH1A1
SCHEMBL1121851 0.75 BRAF (0.72) BRAFNPC1TP53RAB9ASMN1; SMN2
SCHEMBL1122543 0.75 CYP1A2 (0.59) NTRK1BRAFL3MBTL1

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 NTRK1 342/4885BRAF 1/4885PIP4K2A 2226/4885

“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.