SCHEMBL4656902

SCHEMBL4656902

CCc1nn2c(-c3cccc(NC(=O)c4cc(Cl)ccc4Br)c3)ccnc2c1C(=O)O

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
F2R P25116 1/20 0.48
BRAF P15056 9/20 0.44
MAPK13 O15264 2/20 0.43
PIM1 P11309 1/20 0.43
LIMK1 P53667 1/20 0.43
MARK2 Q7KZI7 1/20 0.43
EPHA2 P29317 1/20 0.41
GSK3A P49840 1/20 0.41
LCLAT1 Q6UWP7 2/20 0.40
BTK Q06187 1/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
ANO1 Q5XXA6 1/20 0.40
FYN P06241 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
SCHEMBL4791344 0.87 BRAF (0.49) BRAFMAPK13PIM1LIMK1MARK2
SCHEMBL4657112 0.81 USP2 (0.48) BRAFMAPK13PIM1LIMK1MARK2
SCHEMBL4657156 0.81 RAB9A (0.48) BRAFMAPK13PIM1LIMK1MARK2
SCHEMBL4658310 0.80 HPGD (0.47) BRAFMAPK13PIM1LIMK1MARK2
SCHEMBL4655859 0.80 HDAC1 (0.45) BRAFMAPK13PIM1LIMK1MARK2
SCHEMBL4760049 0.79 BRAF (0.53) BRAF
SCHEMBL4656903 0.79 BRAF (0.68) F2RBRAFMAPK13PIM1LIMK1
SCHEMBL5622507 0.79 BRAF (0.51) BRAF
SCHEMBL5622149 0.79 MEN1 (0.42) BRAFMAPK13PIM1LIMK1MARK2
SCHEMBL5621150 0.78 ALDH1A1 (0.46) BRAFMAPK13PIM1LIMK1MARK2

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 F2R 2309/4885BRAF 289/4885MAPK13 3288/4885

“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.