SCHEMBL5808332

SCHEMBL5808332

CC(C)COC(=O)Nc1cccc(-c2ccnc3c(Br)cnn23)c1

nearest known ligand 0.50

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
BRAF P15056 15/20 0.49
MAPK13 O15264 1/20 0.47
PIM1 P11309 1/20 0.47
LCK P06239 3/20 0.45
HCK P08631 3/20 0.45
SRC P12931 3/20 0.45
KDR P35968 3/20 0.45

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
SCHEMBL5799423 0.85 TP53 (0.48) BRAFMAPK13PIM1
SCHEMBL5808122 0.83 CDKN1A (0.48) BRAFLCKHCKSRCKDR
SCHEMBL5823330 0.82 CDKN1A (0.68) BRAFMAPK13PIM1
SCHEMBL5820180 0.82 GSK3A (0.53) BRAFMAPK13PIM1KDR
SCHEMBL4762128 0.76 BRAF (0.56) BRAFMAPK13PIM1KDR
SCHEMBL4656907 0.75 BRAF (0.69) BRAF
SCHEMBL5807301 0.75 CDKN1A (0.62) BRAFMAPK13PIM1
SCHEMBL4658179 0.74 BRAF (0.62) BRAF
SCHEMBL4655778 0.73 BRAF (0.76) BRAF
SCHEMBL4658290 0.72 BRAF (0.71) BRAFLCKSRCKDR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2006033796-A1 SUBSTITUTED PYRAZOLO [1,5-a] PYRIMIDINES AND PROCESS FOR MAKING SAME WYETH (US) 2006-03-30 WO claimed
US-20060063785-A1 Substituted pyrazolo[1,5-a] pyrimidines and process for making same WYETH 2006-03-23 US claimed
WO-2006033795-A2 SUBSTITUTED PYRAZOLO [1, 5-A] PYRIMIDINES FOR INHIBITING ABNORMAL CELL GROWTH WYETH (US) 2006-03-30 WO disclosed
WO-2006033796-A1 SUBSTITUTED PYRAZOLO [1,5-a] PYRIMIDINES AND PROCESS FOR MAKING SAME WYETH (US) 2006-03-30 WO disclosed
US-20060063784-A1 Method of using substituted pyrazolo [1,5-a] pyrimidines WYETH 2006-03-23 US disclosed
US-20060063785-A1 Substituted pyrazolo[1,5-a] pyrimidines and process for making same WYETH 2006-03-23 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-20060063785-A1 Substituted pyrazolo[1,5-a] pyrimidines and process for making same TYMP, DPYD, TYMS BRAF 214/4885MAPK13 1171/4885PIM1 586/4885
US-20060063784-A1 Method of using substituted pyrazolo [1,5-a] pyrimidines TYMP, DPYD, TYMS BRAF 523/4885MAPK13 1727/4885PIM1 797/4885

“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.