SCHEMBL3960746

SCHEMBL3960746

O=C(Nc1ccc(-c2cc(-c3ccccc3)[nH]n2)cc1)Nc1ccc(Cl)c(C(F)(F)F)c1

nearest known ligand 0.77

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
RAF1 P04049 4/20 0.77
BRAF P15056 2/20 0.77
KDR P35968 9/20 0.69
PDGFRB P09619 1/20 0.57
FLT3 P36888 1/20 0.57
AURKB Q96GD4 1/20 0.56
EPHB4 P54760 2/20 0.55
TEK Q02763 1/20 0.55
TRPV1 Q8NER1 2/20 0.52
CA1 P00915 1/20 0.51
CA2 P00918 1/20 0.51
CA7 P43166 1/20 0.51
CA9 Q16790 1/20 0.51
BCHE P06276 1/20 0.51
ACHE P22303 1/20 0.51
RIPK1 Q13546 1/20 0.51

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
SCHEMBL1787911 1.00 RAF1 (0.77) RAF1BRAFKDRPDGFRBFLT3
SCHEMBL1791731 0.84 BRAF (0.62) RAF1BRAFKDRPDGFRBFLT3
SCHEMBL1791767 0.83 RAF1 (0.63) RAF1BRAFKDRFLT3
SCHEMBL1789941 0.83 RAB9A (0.63) RAF1BRAFKDRPDGFRBFLT3
SCHEMBL1790198 0.82 RAF1 (0.69) RAF1BRAFKDRFLT3
SCHEMBL1791695 0.82 RAF1 (0.61) RAF1BRAFKDRFLT3
SCHEMBL18615348 0.80 KDR (0.85) KDRAURKBTRPV1CA1CA2
SCHEMBL5523848 0.78 RAF1 (0.52) RAF1BRAFKDRPDGFRBFLT3
SCHEMBL25482048 0.77 KDR (0.82) RAF1BRAFKDRPDGFRBAURKB
SCHEMBL118026 0.76 KDR (1.00) KDRTRPV1CA1CA2CA7

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 9 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
US-8710038-B2 Pyrazole kinase modulators and methods of use EXELIXIS, INC. (US) 2014-04-29 US disclosed
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
US-20070293507-A1 Pyrazole Kinase Modulators And Methods Of Use EXELIXIS, INC. (US) 2007-12-20 US 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.