SCHEMBL1017360

SCHEMBL1017360

COc1cccc(-c2c(-c3ccncc3)nn3c(Cl)ccnc23)c1

nearest known ligand 0.63

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
BRAF P15056 13/20 0.63
MAPT P10636 2/20 0.49
TDP1 Q9NUW8 1/20 0.49
KDR P35968 1/20 0.46
MAPK14 Q16539 4/20 0.44
GCGR P47871 1/20 0.43
DCTPP1 Q9H773 1/20 0.43
MAPK13 O15264 1/20 0.43
RAF1 P04049 1/20 0.43
MAPK12 P53778 1/20 0.43
MAPK11 Q15759 1/20 0.43

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
SCHEMBL1017008 0.86 BRAF (0.63) BRAFMAPTTDP1MAPK14
SCHEMBL1014169 0.82 BRAF (0.68) BRAFMAPTTDP1MAPK14
SCHEMBL1016856 0.80 BRAF (0.63) BRAFMAPTTDP1MAPK14
SCHEMBL1013380 0.78 BRAF (1.00) BRAF
SCHEMBL4058317 0.77 BRAF (0.57) BRAFMAPTTDP1MAPK14
SCHEMBL13499876 0.75 BRAF (0.67) BRAFMAPTTDP1
SCHEMBL1012983 0.74 BRAF (1.00) BRAFMAPTTDP1MAPK14
SCHEMBL4046191 0.74 NPC1 (0.53) BRAFMAPTTDP1KDRMAPK14
SCHEMBL4056272 0.73 BRAF (0.53) BRAFMAPTTDP1MAPK14
SCHEMBL1014848 0.73 BRAF (1.00) BRAFMAPK14

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 3 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-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 1/4885MAPT 3760/4885TDP1 1494/4885

“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.