SCHEMBL4655859

SCHEMBL4655859

CCc1nn2c(-c3cccc(NC(=O)c4cccn4C)c3)ccnc2c1C(=O)O

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 1/20 0.45
HDAC6 Q9UBN7 1/20 0.45
BRAF P15056 12/20 0.42
BTK Q06187 1/20 0.42
MAPK13 O15264 2/20 0.42
PIM1 P11309 2/20 0.42
LIMK1 P53667 1/20 0.42
MARK2 Q7KZI7 1/20 0.42
PARP1 P09874 1/20 0.40
EPHA2 P29317 1/20 0.40
GSK3A P49840 1/20 0.40
NTRK1 P04629 1/20 0.39
ABL1 P00519 1/20 0.39
KIT P10721 1/20 0.39
BCR P11274 1/20 0.39
DDR1 Q08345 1/20 0.39

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
SCHEMBL5621460 0.85 MAPK14 (0.46) BRAFBTKMAPK13PIM1
SCHEMBL4791344 0.84 BRAF (0.49) HDAC6BRAFBTKMAPK13PIM1
SCHEMBL4657156 0.83 RAB9A (0.48) BRAFBTKMAPK13PIM1LIMK1
SCHEMBL5622149 0.82 MEN1 (0.42) BRAFBTKMAPK13PIM1LIMK1
SCHEMBL4658310 0.82 HPGD (0.47) BRAFBTKMAPK13PIM1LIMK1
SCHEMBL5622507 0.82 BRAF (0.51) BRAF
SCHEMBL5621150 0.81 ALDH1A1 (0.46) BRAFBTKMAPK13PIM1LIMK1
SCHEMBL4657112 0.81 USP2 (0.48) BRAFBTKMAPK13PIM1LIMK1
SCHEMBL4656838 0.81 MAPT (0.47) BRAFBTKMAPK13PIM1LIMK1
SCHEMBL4831586 0.81 EPHA2 (0.51) BRAFBTKMAPK13PIM1LIMK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 HDAC1 1433/4885HDAC6 2119/4885BRAF 289/4885

“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.