SCHEMBL4658472

SCHEMBL4658472

O=C(Nc1ccc(F)c(-c2ccnc3ccnn23)c1)c1cccc(C(F)(F)F)c1

nearest known ligand 0.65

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
BRAF P15056 14/20 0.65
HTR2A P28223 2/20 0.55
ABL1 P00519 1/20 0.53
BCR P11274 1/20 0.53
PDGFRB P09619 1/20 0.52
KDR P35968 1/20 0.52
DDR2 Q16832 1/20 0.51
HTR2C P28335 1/20 0.51
MAPT P10636 1/20 0.51
RAF1 P04049 2/20 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
SCHEMBL4655700 0.90 BRAF (0.65) BRAFHTR2AABL1BCRPDGFRB
SCHEMBL4658567 0.87 BRAF (0.68) BRAFHTR2AABL1BCRDDR2
SCHEMBL4656176 0.85 BRAF (0.73) BRAFRAF1
SCHEMBL4656002 0.85 BRAF (0.78) BRAF
SCHEMBL4657179 0.84 BRAF (0.73) BRAFRAF1
SCHEMBL4716985 0.81 BRAF (0.78) BRAFRAF1
SCHEMBL4657038 0.79 BRAF (1.00) BRAFRAF1
SCHEMBL4760528 0.79 BRAF (0.59) BRAFHTR2ARAF1
SCHEMBL4658545 0.78 BRAF (0.79) BRAF
SCHEMBL4656680 0.77 BRAF (0.70) BRAFRAF1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101405289-A Pyrazolo[1,5-A]pyrimidine derivatives and methods of use thereof WYETH CORP (US) 2009-04-08 CN 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 claimed
WO-2007109093-A2 PYRAZOLO[1,5-A]PYRIMIDINE DERIVATIVES AND METHODS OF USE THEREOF WYETH (US) 2007-09-27 WO claimed
US-20070219186-A1 Pyrazolo[1,5-A]pyrimidine derivatives and methods of use thereof WYETH (US) 2007-09-20 US claimed
CN-101405289-A Pyrazolo[1,5-A]pyrimidine derivatives and methods of use thereof WYETH CORP (US) 2009-04-08 CN disclosed
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 289/4885HTR2A 2521/4885ABL1 1452/4885

“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.