SCHEMBL3846759

SCHEMBL3846759

CN1CCN(c2ccc3nc(-c4cc(-c5ccc(NC(=O)Nc6ccc(Cl)c(C(F)(F)F)c6)cc5)[nH]n4)[nH]c3c2)CC1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAF1 P04049 3/20 0.53
BRAF P15056 2/20 0.53
KDR P35968 5/20 0.48
PRKD1 Q15139 2/20 0.46
BRD4 O60885 2/20 0.45
FLT3 P36888 5/20 0.45
AURKA O14965 2/20 0.45
KCNH2 Q12809 2/20 0.45
DGAT1 O75907 1/20 0.45
SOAT1 P35610 1/20 0.45
FGFR1 P11362 2/20 0.45
FGFR2 P21802 2/20 0.45
FGFR3 P22607 2/20 0.45
TOP1 P11387 2/20 0.44
TOP2A P11388 2/20 0.44
ALDH1A1 P00352 1/20 0.44
HPGD P15428 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
HSD17B10 Q99714 1/20 0.44
FLT4 P35916 2/20 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
SCHEMBL1790796 0.94 RAF1 (0.53) RAF1BRAFKDRPRKD1FLT3
SCHEMBL5528791 0.94 RAF1 (0.51) RAF1BRAFKDRPRKD1BRD4
SCHEMBL1788454 0.90 DGAT1 (0.55) KDRPRKD1BRD4FLT3AURKA
SCHEMBL5526868 0.88 RAF1 (0.51) RAF1BRAFKDRPRKD1FLT3
SCHEMBL1793901 0.87 RAF1 (0.51) RAF1BRAFKDRFLT3KCNH2
SCHEMBL1791767 0.87 RAF1 (0.63) RAF1BRAFKDRPRKD1FLT3
SCHEMBL1793095 0.86 PRKD1 (0.46) RAF1BRAFKDRPRKD1FLT3
SCHEMBL1792934 0.85 PRKD1 (0.49) RAF1KDRPRKD1BRD4FLT3
SCHEMBL1790198 0.84 RAF1 (0.69) RAF1BRAFKDRPRKD1FLT3
SCHEMBL1790845 0.84 PRKD1 (0.54) KDRPRKD1BRD4FLT3AURKA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8710038-B2 Pyrazole kinase modulators and methods of use EXELIXIS, INC. (US) 2014-04-29 US disclosed
EP-1797072-A4 PYRAZOLE KINASE MODULATORS AND METHODS OF USE EXELIXIS INC (US) 2009-09-09 EP disclosed
US-20070293507-A1 Pyrazole Kinase Modulators And Methods Of Use EXELIXIS, INC. (US) 2007-12-20 US disclosed
EP-1797072-A2 PYRAZOLE KINASE MODULATORS AND METHODS OF USE Exelixis, Inc. (US) 2007-06-20 EP disclosed
WO-2006033943-A2 PYRAZOLE KINASE MODULATORS AND METHODS OF USE EXELIXIS, INC (US) 2006-03-30 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-20070293507-A1 Pyrazole Kinase Modulators And Methods Of Use MAP3K1, MAP3K3, MAP3K5 RAF1 60/4885BRAF 36/4885KDR 422/4885

“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.