SCHEMBL5807451

SCHEMBL5807451

CC(C)CC(=O)Nc1cccc(-c2ccnc3c(-c4cccc(Cl)c4)cnn23)c1

nearest known ligand 0.55

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
BRAF P15056 18/20 0.55
RAF1 P04049 1/20 0.48
MAPK14 Q16539 1/20 0.48
FYN P06241 1/20 0.46
TP53 P04637 1/20 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
SCHEMBL5809316 0.94 BRAF (0.53) BRAFRAF1MAPK14TP53
SCHEMBL5796615 0.93 BRAF (0.54) BRAFRAF1MAPK14
SCHEMBL5814159 0.91 BRAF (0.53) BRAFRAF1MAPK14
SCHEMBL5812817 0.90 BRAF (0.55) BRAFRAF1MAPK14
SCHEMBL5799436 0.89 BRAF (0.59) BRAFRAF1MAPK14TP53
SCHEMBL5799997 0.89 BRAF (0.55) BRAFRAF1MAPK14TP53
SCHEMBL5946534 0.89 BRAF (0.56) BRAFRAF1MAPK14
SCHEMBL5813271 0.88 BRAF (0.53) BRAFRAF1MAPK14
SCHEMBL5797136 0.88 MAPK13 (0.57) BRAFRAF1MAPK14FYN
SCHEMBL5813705 0.88 BRAF (0.49) BRAFRAF1MAPK14TP53

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
WO-2006033795-A2 SUBSTITUTED PYRAZOLO [1, 5-A] PYRIMIDINES FOR INHIBITING ABNORMAL CELL GROWTH WYETH (US) 2006-03-30 WO claimed
WO-2006033796-A1 SUBSTITUTED PYRAZOLO [1,5-a] PYRIMIDINES AND PROCESS FOR MAKING SAME WYETH (US) 2006-03-30 WO claimed
US-20060063784-A1 Method of using substituted pyrazolo [1,5-a] pyrimidines WYETH 2006-03-23 US 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 214/4885RAF1 343/4885MAPK14 904/4885
US-20060063784-A1 Method of using substituted pyrazolo [1,5-a] pyrimidines TYMP, DPYD, TYMS BRAF 523/4885RAF1 1037/4885MAPK14 1308/4885

“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.