SCHEMBL5799423

SCHEMBL5799423

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

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 2/20 0.48
BRAF P15056 10/20 0.48
MAPK13 O15264 1/20 0.47
PIM1 P11309 1/20 0.47
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
F2R P25116 1/20 0.47
MAPK1 P28482 3/20 0.45
SMN1; SMN2 Q16637 3/20 0.45
EPHA2 P29317 1/20 0.45
GSK3A P49840 1/20 0.45
NPC1 O15118 1/20 0.45
TSHR P16473 1/20 0.45
RAB9A P51151 1/20 0.45
KDM4E B2RXH2 2/20 0.45
USP2 O75604 1/20 0.45
ALDH1A1 P00352 1/20 0.45
HSD17B10 Q99714 1/20 0.45
MAPT P10636 1/20 0.45
HTT P42858 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
SCHEMBL5946534 0.85 BRAF (0.56) BRAFMAPK13PIM1
SCHEMBL5808332 0.85 BRAF (0.49) BRAFMAPK13PIM1
SCHEMBL5813271 0.85 BRAF (0.53) BRAF
SCHEMBL5812817 0.85 BRAF (0.55) BRAFMAPK13PIM1SMN1; SMN2EPHA2
SCHEMBL5820180 0.84 GSK3A (0.53) BRAFMAPK13PIM1EPHA2GSK3A
SCHEMBL5799997 0.84 BRAF (0.55) TP53BRAF
SCHEMBL5796615 0.84 BRAF (0.54) BRAFSMN1; SMN2NPC1RAB9AMAPT
SCHEMBL5799436 0.84 BRAF (0.59) TP53BRAF
SCHEMBL5807451 0.84 BRAF (0.55) TP53BRAF
SCHEMBL5812531 0.84 BRAF (0.56) BRAF

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 7 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-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 TP53 27/4885BRAF 214/4885MAPK13 1171/4885
US-20060063784-A1 Method of using substituted pyrazolo [1,5-a] pyrimidines TYMP, DPYD, TYMS TP53 63/4885BRAF 523/4885MAPK13 1727/4885

“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.