SCHEMBL4655700

SCHEMBL4655700

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

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRAF P15056 10/20 0.65
CSF1R P07333 3/20 0.55
HTR2A P28223 2/20 0.54
PDGFRB P09619 2/20 0.53
JAK2 O60674 1/20 0.53
FGFR1 P11362 1/20 0.53
CYP2C9 P11712 1/20 0.53
EPHB4 P54760 1/20 0.53
PTK2 Q05397 1/20 0.53
MAPK14 Q16539 1/20 0.53
KCNQ3 O43525 2/20 0.53
KCNQ2 O43526 2/20 0.53
KCNE1 P15382 2/20 0.53
KCNQ1 P51787 2/20 0.53
DDR2 Q16832 1/20 0.52
ABL1 P00519 1/20 0.52
BCR P11274 1/20 0.52
KCNQ5 Q9NR82 1/20 0.52
KDR P35968 1/20 0.51
HTR2C P28335 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
SCHEMBL4658472 0.90 BRAF (0.65) BRAFHTR2APDGFRBDDR2ABL1
SCHEMBL4658567 0.86 BRAF (0.68) BRAFHTR2ADDR2ABL1BCR
SCHEMBL4655947 0.86 BRAF (0.77) BRAFMAPK14
SCHEMBL4657085 0.85 BRAF (0.77) BRAF
SCHEMBL4656176 0.85 BRAF (0.73) BRAFMAPK14
SCHEMBL4655843 0.84 BRAF (0.73) BRAFMAPK14
SCHEMBL4657170 0.84 BRAF (0.73) BRAFMAPK14
SCHEMBL4656892 0.81 BRAF (0.77) BRAF
SCHEMBL4655888 0.79 BRAF (1.00) BRAFMAPK14
SCHEMBL4763789 0.79 BRAF (0.60) BRAFHTR2AMAPK14

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
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-20070219183-A1 Dihydropyrazolo[1,5-A]pyrimidine and dihydroimidazo[1,5-A]pyrimidine derivatives and methods of use thereof WYETH (US) 2007-09-20 US 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 (2 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 289/4885CSF1R 3829/4885HTR2A 2521/4885
US-20070219183-A1 Dihydropyrazolo[1,5-A]pyrimidine and dihydroimidazo[1,5-A]pyrimidine derivatives and methods of use thereof DPYD, DUT, TYMP BRAF 817/4885CSF1R 3595/4885HTR2A 1862/4885

“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.