SCHEMBL5797136

SCHEMBL5797136

COc1cccc(-c2cnn3c(-c4cccc(NC(=O)CC(C)C)c4)ccnc23)c1

nearest known ligand 0.57

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPK13 O15264 2/20 0.57
PIM1 P11309 2/20 0.57
BRAF P15056 16/20 0.53
FYN P06241 1/20 0.47
RAF1 P04049 1/20 0.47
MAPK14 Q16539 1/20 0.47
MTNR1B P49286 1/20 0.46
DAPK3 O43293 1/20 0.45
AKT1 P31749 1/20 0.45
MAPK9 P45984 1/20 0.45
GSK3A P49840 1/20 0.45
NEK2 P51955 1/20 0.45
PIM3 Q86V86 1/20 0.45
PLK3 Q9H4B4 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
SCHEMBL5797477 0.93 BRAF (0.54) MAPK13PIM1BRAFRAF1MAPK14
SCHEMBL5798319 0.92 BRAF (0.53) MAPK13PIM1BRAFRAF1MAPK14
SCHEMBL5812817 0.88 BRAF (0.55) MAPK13PIM1BRAFRAF1MAPK14
SCHEMBL5798368 0.88 BRAF (0.52) MAPK13PIM1BRAFRAF1MAPK14
SCHEMBL5808099 0.88 BRAF (0.50) MAPK13PIM1BRAFFYNRAF1
SCHEMBL5799997 0.88 BRAF (0.55) BRAFRAF1MAPK14
SCHEMBL5807451 0.88 BRAF (0.55) BRAFFYNRAF1MAPK14
SCHEMBL5799436 0.88 BRAF (0.59) BRAFRAF1MAPK14
SCHEMBL5946534 0.87 BRAF (0.56) MAPK13PIM1BRAFRAF1MAPK14
SCHEMBL5813271 0.86 BRAF (0.53) BRAFRAF1MAPK14

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 MAPK13 1171/4885PIM1 586/4885BRAF 214/4885
US-20060063784-A1 Method of using substituted pyrazolo [1,5-a] pyrimidines TYMP, DPYD, TYMS MAPK13 1727/4885PIM1 797/4885BRAF 523/4885

“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.