SCHEMBL1122289

SCHEMBL1122289

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

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPKAPK2 P49137 6/20 0.48
NTRK1 P04629 1/20 0.47
NAMPT P43490 1/20 0.46
CYP17A1 P05093 2/20 0.45
KMT2A Q03164 1/20 0.45
HTT P42858 2/20 0.43
BRAF P15056 1/20 0.43
PPARG P37231 1/20 0.42
PPARA Q07869 1/20 0.42
IGF1R P08069 1/20 0.41
PSMB8 P28062 1/20 0.41
ALDH1A1 P00352 1/20 0.40
LMNA P02545 1/20 0.40
CYP1A2 P05177 1/20 0.40
GLA P06280 1/20 0.40
CYP3A4 P08684 1/20 0.40
MAPT P10636 1/20 0.40
CYP2C19 P33261 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
ATR Q13535 1/20 0.40

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) NTRK1KMT2AHTTBRAFPPARG
SCHEMBL11822252 0.82 TSHR (0.51) NTRK1KMT2AHTTBRAFPPARG
SCHEMBL5444453 0.80 KDR (0.46) MAPKAPK2NAMPTCYP17A1KMT2ABRAF
SCHEMBL29131710 0.79 HPGD (0.59) NAMPTCYP17A1PPARGPPARAPSMB8
SCHEMBL5451118 0.79 MAP2K7 (0.51) MAPKAPK2CYP17A1BRAF
SCHEMBL18580747 0.78 HTT (0.53) MAPKAPK2NAMPTHTTALDH1A1LMNA
SCHEMBL23637726 0.77 CYP17A1 (0.63) NAMPTCYP17A1BRAFPSMB8SMN1; SMN2
SCHEMBL1122719 0.77 BRAF (0.77) BRAF
SCHEMBL11823580 0.75 NTRK1 (0.41) NTRK1NAMPTKMT2AHTTBRAF
SCHEMBL7050882 0.75 CYP17A1 (0.44) MAPKAPK2NAMPTCYP17A1KMT2APSMB8

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 9 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-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 MAPKAPK2 519/4885NTRK1 342/4885NAMPT 2106/4885

“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.