SCHEMBL4656907

SCHEMBL4656907

O=C(Nc1cccc(-c2ccnc3c(Br)cnn23)c1)Nc1cccc(C(F)(F)F)c1

nearest known ligand 0.69

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
BRAF P15056 19/20 0.69
KDM4E B2RXH2 1/20 0.58
RAF1 P04049 1/20 0.55
MAPK14 Q16539 1/20 0.55

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
SCHEMBL4655778 0.90 BRAF (0.76) BRAFRAF1MAPK14
SCHEMBL4658290 0.87 BRAF (0.71) BRAF
SCHEMBL5622067 0.86 BRAF (0.71) BRAFRAF1
SCHEMBL4656848 0.86 BRAF (0.82) BRAFRAF1MAPK14
SCHEMBL4657079 0.86 BRAF (0.71) BRAFRAF1MAPK14
SCHEMBL3164198 0.85 KDM4E (0.69) BRAFKDM4ERAF1MAPK14
SCHEMBL5820180 0.83 GSK3A (0.53) BRAF
SCHEMBL4762128 0.83 BRAF (0.56) BRAF
SCHEMBL4656218 0.82 BRAF (1.00) BRAFKDM4E
SCHEMBL4656540 0.80 BRAF (0.61) BRAFRAF1MAPK14

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070219186-A1 Pyrazolo[1,5-A]pyrimidine derivatives and methods of use thereof WYETH (US) 2007-09-20 US claimed
EP-1996594-A2 PYRAZOLO[1,5-A]PYRIMIDINE DERIVATIVES AND METHODS OF USE THEREOF Wyeth a Corporation of the State of Delaware (US) 2008-12-03 EP disclosed
WO-2007109093-A2 PYRAZOLO[1,5-A]PYRIMIDINE DERIVATIVES AND METHODS OF USE THEREOF WYETH (US) 2007-09-27 WO disclosed
US-20070219186-A1 Pyrazolo[1,5-A]pyrimidine derivatives and methods of use thereof WYETH (US) 2007-09-20 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-20070219186-A1 Pyrazolo[1,5-A]pyrimidine derivatives and methods of use thereof DPYD, TYMP, TYMS BRAF 289/4885KDM4E 2898/4885RAF1 652/4885

“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.