SCHEMBL3655405

SCHEMBL3655405

O=C(O)c1nnc2c(-c3cccc(O)c3)c(-c3ccncc3)nn2c1C1CCCCC1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRAF P15056 16/20 0.50
FYN P06241 2/20 0.41
CHEK1 O14757 1/20 0.41
ABL1 P00519 1/20 0.41
PRKCB P05771 1/20 0.41
CDK1 P06493 1/20 0.41
LYN P07948 1/20 0.41
MET P08581 1/20 0.41
HCK P08631 1/20 0.41
SRC P12931 1/20 0.41
PDGFRA P16234 1/20 0.41
PRKCA P17252 1/20 0.41
CDK2 P24941 1/20 0.41
MAPKAPK2 P49137 1/20 0.41
MAP4K2 Q12851 1/20 0.41
ROCK1 Q13464 1/20 0.41
RPS6KA1 Q15418 1/20 0.41
MAPK14 Q16539 1/20 0.41
AURKB Q96GD4 1/20 0.41
CSNK1G1 Q9HCP0 1/20 0.41

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
SCHEMBL3655407 0.81 BRAF (0.46) BRAFFYNCHEK1ABL1PRKCB
SCHEMBL3654980 0.80 BRAF (0.54) BRAFSRC
SCHEMBL3656449 0.80 BRAF (0.56) BRAFFYNCHEK1ABL1PRKCB
SCHEMBL3656622 0.78 BRAF (0.51) BRAFHTT
SCHEMBL3656030 0.75 BRAF (0.43) BRAFFYNCHEK1ABL1PRKCB
SCHEMBL3656450 0.70 BRAF (0.51) BRAFFYNCHEK1ABL1PRKCB
SCHEMBL3656568 0.69 BRAF (0.51) BRAFMAPK14
SCHEMBL3657041 0.68 BRAF (0.43) BRAFFYNCHEK1ABL1PRKCB
SCHEMBL1015177 0.67 BRAF (1.00) BRAFFYNCHEK1ABL1PRKCB
SCHEMBL3656407 0.67 BRAF (0.73) BRAF

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-2203453-A1 PYRAZOLO[5, 1-C] [1,2,4]TRIAZINES, METHODS FOR PREPARATION AND USE THEREOF Wyeth a Corporation of the State of Delaware (US) 2010-07-07 EP disclosed
WO-2009039387-A1 PYRAZOLO[5, 1-C] [1,2,4] TRIAZINES, METHODS FOR PREPARATION AND USE THEREOF WYETH (US) 2009-03-26 WO disclosed
US-20090082354-A1 PYRAZOLO[5, 1-C] [1,2,4] TRIAZINES, METHODS FOR PREPARATION AND USE THEREOF WYETH (US) 2009-03-26 US 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-20090082354-A1 PYRAZOLO[5, 1-C] [1,2,4] TRIAZINES, METHODS FOR PREPARATION AND USE THEREOF RAF1, BRAF, ARAF BRAF 2/4885FYN 332/4885CHEK1 380/4885

“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.