SCHEMBL5811989

SCHEMBL5811989

CC(C)CC(=O)Nc1cccc(-c2ccnc3c(-c4cccc5cccnc45)cnn23)c1

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
BRAF P15056 17/20 0.49
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
TP53 P04637 2/20 0.47
RAF1 P04049 1/20 0.45
MAPK14 Q16539 1/20 0.45
NPC1 O15118 1/20 0.44
TSHR P16473 1/20 0.44
MAPK1 P28482 1/20 0.44
RAB9A P51151 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44

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
SCHEMBL5813705 0.85 BRAF (0.49) BRAFTP53RAF1MAPK14
SCHEMBL5946534 0.85 BRAF (0.56) BRAFRAF1MAPK14
SCHEMBL5813271 0.84 BRAF (0.53) BRAFRAF1MAPK14
SCHEMBL5812817 0.84 BRAF (0.55) BRAFRAF1MAPK14SMN1; SMN2
SCHEMBL5799997 0.83 BRAF (0.55) BRAFTP53RAF1MAPK14
SCHEMBL5812531 0.83 BRAF (0.56) BRAFRAF1MAPK14
SCHEMBL5799436 0.83 BRAF (0.59) BRAFTP53RAF1MAPK14
SCHEMBL5796615 0.83 BRAF (0.54) BRAFRAF1MAPK14NPC1RAB9A
SCHEMBL5807451 0.83 BRAF (0.55) BRAFTP53RAF1MAPK14
SCHEMBL5809316 0.83 BRAF (0.53) BRAFTP53RAF1MAPK14

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 214/4885MEN1 2019/4885KMT2A 2596/4885
US-20060063784-A1 Method of using substituted pyrazolo [1,5-a] pyrimidines TYMP, DPYD, TYMS BRAF 523/4885MEN1 2653/4885KMT2A 2890/4885

“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.