SCHEMBL1019923

SCHEMBL1019923

c1cc(-c2cc3nccc(-c4ccc(N5C[C@@H]6C[C@H]5CN6)cc4)n3n2)ccn1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRAF P15056 5/20 0.63
CSNK1E P49674 2/20 0.45
CHRNB2 P17787 8/20 0.45
CHRNA4 P43681 8/20 0.45
CHRNB4 P30926 1/20 0.45
CHRNA3 P32297 1/20 0.45
HTT P42858 1/20 0.44
CHEK1 O14757 1/20 0.43
ABL1 P00519 1/20 0.43
PRKCB P05771 1/20 0.43
FYN P06241 1/20 0.43
CDK1 P06493 1/20 0.43
LYN P07948 1/20 0.43
MET P08581 1/20 0.43
HCK P08631 1/20 0.43
SRC P12931 1/20 0.43
PDGFRA P16234 1/20 0.43
PRKCA P17252 1/20 0.43
CDK2 P24941 1/20 0.43
MAPKAPK2 P49137 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
SCHEMBL1014957 0.87 BRAF (0.49) BRAFCSNK1ECHRNB2CHRNA4CHRNB4
SCHEMBL1017054 0.78 BRAF (1.00) BRAFCHEK1ABL1PRKCBFYN
SCHEMBL1015460 0.76 BRAF (0.79) BRAFCHEK1ABL1PRKCBFYN
SCHEMBL10511270 0.74 CHRNB2 (0.69) CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL1016805 0.74 BRAF (1.00) BRAFCHEK1ABL1PRKCBFYN
Trifluoroacetic Acid SCHEMBL1016961 0.73 BRAF (0.88) BRAFCHEK1ABL1PRKCBFYN
SCHEMBL1014071 0.73 BRAF (0.83) BRAFCHEK1ABL1PRKCBFYN
SCHEMBL1014064 0.73 BRAF (1.00) BRAFCHEK1ABL1PRKCBFYN
Trifluoroacetic Acid SCHEMBL1016203 0.72 BRAF (0.72) BRAFCHEK1ABL1PRKCBFYN
SCHEMBL1014904 0.71 HTT (0.60) BRAFHTTFYN

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 1/4885CSNK1E 1128/4885CHRNB2 4828/4885

“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.