SCHEMBL4656887

SCHEMBL4656887

CCOC(=O)c1cnn2c(-c3ccc(OC)c(NC(=O)c4ccc(C)c(C(F)(F)F)c4)c3)ccnc12

nearest known ligand 0.75

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
BRAF P15056 16/20 0.75
PIM1 P11309 2/20 0.51
GSK3A P49840 2/20 0.51
MAPK13 O15264 1/20 0.51
DAPK3 O43293 1/20 0.51
AKT1 P31749 1/20 0.51
MAPK9 P45984 1/20 0.51
NEK2 P51955 1/20 0.51
PIM3 Q86V86 1/20 0.51
PLK3 Q9H4B4 1/20 0.51
LIMK1 P53667 1/20 0.49
IRAK4 Q9NWZ3 1/20 0.41
EPHA2 P29317 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
SCHEMBL4655883 0.92 BRAF (0.61) BRAFPIM1GSK3AMAPK13DAPK3
SCHEMBL4656339 0.90 BRAF (0.76) BRAF
SCHEMBL5624102 0.90 BRAF (0.71) BRAFPIM1GSK3AMAPK13DAPK3
SCHEMBL4657229 0.88 BRAF (0.77) BRAFPIM1GSK3AMAPK13DAPK3
SCHEMBL4761960 0.85 BRAF (1.00) BRAF
SCHEMBL4656916 0.85 BRAF (1.00) BRAFPIM1MAPK13
SCHEMBL4655657 0.79 BRAF (0.72) BRAF
SCHEMBL4657255 0.79 BRAF (0.79) BRAF
SCHEMBL4657233 0.79 BRAF (0.87) BRAF
SCHEMBL3170569 0.78 BRAF (0.61) BRAFPIM1GSK3AMAPK13DAPK3

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 289/4885PIM1 1136/4885GSK3A 3164/4885

“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.