SCHEMBL1017850

SCHEMBL1017850

Nc1[nH]nc(-c2ccncc2)c1-c1cccc(O)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRAF P15056 2/20 0.48
MAPK13 O15264 1/20 0.48
RAF1 P04049 1/20 0.48
MAPK12 P53778 1/20 0.48
MAPK11 Q15759 1/20 0.48
MAPK14 Q16539 1/20 0.48
BRDT Q58F21 1/20 0.48
HSD17B1 P14061 1/20 0.46
HSD17B2 P37059 1/20 0.46
LRRK2 Q5S007 9/20 0.43
CYP17A1 P05093 3/20 0.42
CYP3A4 P08684 2/20 0.42
CYP19A1 P11511 2/20 0.42
CYP11B1 P15538 2/20 0.42
CYP11B2 P19099 2/20 0.42
MKNK1 Q9BUB5 1/20 0.41
PIK3CD O00329 1/20 0.39
PIK3CA P42336 1/20 0.39
PIK3CB P42338 1/20 0.39
PIK3CG P48736 1/20 0.39

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
SCHEMBL14519385 0.82 MKNK1 (0.51) BRAFMAPK13RAF1MAPK12MAPK11
SCHEMBL19972125 0.82 MKNK1 (0.51) BRAFMAPK13RAF1MAPK12MAPK11
SCHEMBL1017069 0.80 MAPK14 (0.51) BRAFMAPK13RAF1MAPK12MAPK11
SCHEMBL1013845 0.77 CYP3A4 (0.61) BRAFMAPK13RAF1MAPK12MAPK11
SCHEMBL5255543 0.73 MAPK11 (0.52) BRAFMAPK13RAF1MAPK12MAPK11
SCHEMBL7491106 0.73 MAPK14 (0.59) BRAFMAPK13RAF1MAPK12MAPK11
SCHEMBL6177789 0.73 MAPK14 (0.59) BRAFMAPK13RAF1MAPK12MAPK11
SCHEMBL19926065 0.72 GSK3A (0.57)
SCHEMBL1138550 0.72 CYP17A1 (0.70) BRAFMAPK13RAF1MAPK12MAPK11
SCHEMBL12464661 0.72 ADORA1 (0.48) PIK3CDPIK3CAPIK3CBPIK3CGPRKDC

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2271649-A1 BRIDGED, BICYCLIC HETEROCYCLIC OR SPIRO BICYCLIC HETEROCYCLIC DERIVATIVES OF PYRAZOLO[1,5-A]PYRIMIDINES, METHODS FOR PREPARATION AND USES THEREOF Wyeth LLC (US) 2011-01-12 EP disclosed
US-20100029657-A1 Bridged, Bicyclic Heterocyclic or Spiro Bicyclic Heterocyclic Derivatives of Pyrazolo[1, 5-A]Pyrimidines, Methods for Preparation and Uses Thereof WYETH (US) 2010-02-04 US disclosed
WO-2009111260-A1 PHENYLSULFONAMIDE-SUBSTITUTED, PYRAZOLO[1, 5-A]PYRIMIDINES, METHODS FOR PREPARATION AND USES THEREOF WYETH (US) 2009-09-11 WO disclosed
WO-2009108838-A1 BRIDGED, BICYCLIC HETEROCYCLIC OR SPIRO BICYCLIC HETEROCYCLIC DERIVATIVES OF PYRAZOLO[1,5-A]PYRIMIDINES, METHODS FOR PREPARATION AND USES THEREOF WYETH (US) 2009-09-03 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-20100029657-A1 Bridged, Bicyclic Heterocyclic or Spiro Bicyclic Heterocyclic Derivatives of Pyrazolo[1, 5-A]Pyrimidines, Methods for Preparation and Uses Thereof BRAF, RAF1, ARAF BRAF 1/4885MAPK13 85/4885RAF1 2/4885

“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.