SCHEMBL5797477

SCHEMBL5797477

COc1ccc(-c2cnn3c(-c4cccc(NC(=O)CC(C)C)c4)ccnc23)cc1

nearest known ligand 0.54

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
BRAF P15056 17/20 0.54
MAPK13 O15264 1/20 0.53
PIM1 P11309 1/20 0.53
RAF1 P04049 1/20 0.51
MAPK14 Q16539 1/20 0.51
KDM4E B2RXH2 2/20 0.48
ALDH1A1 P00352 1/20 0.48
MAPT P10636 1/20 0.46

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
SCHEMBL5797136 0.93 MAPK13 (0.57) BRAFMAPK13PIM1RAF1MAPK14
SCHEMBL5798368 0.91 BRAF (0.52) BRAFMAPK13PIM1RAF1MAPK14
SCHEMBL5946534 0.91 BRAF (0.56) BRAFMAPK13PIM1RAF1MAPK14
SCHEMBL5796615 0.89 BRAF (0.54) BRAFRAF1MAPK14MAPT
SCHEMBL5812531 0.89 BRAF (0.56) BRAFRAF1MAPK14
SCHEMBL5808099 0.88 BRAF (0.50) BRAFMAPK13PIM1RAF1MAPK14
SCHEMBL5798319 0.87 BRAF (0.53) BRAFMAPK13PIM1RAF1MAPK14
SCHEMBL5813271 0.86 BRAF (0.53) BRAFRAF1MAPK14
SCHEMBL5812817 0.86 BRAF (0.55) BRAFMAPK13PIM1RAF1MAPK14
SCHEMBL5800154 0.86 BRAF (0.49) BRAFMAPK13PIM1RAF1MAPK14

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 214/4885MAPK13 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.