SCHEMBL5822173

SCHEMBL5822173

CC(C)(C)C(=O)Nc1cccc(-c2ccnc3c(C(=O)c4cccs4)cnn23)c1

nearest known ligand 0.74

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CDKN1A P38936 1/20 0.74
BRAF P15056 14/20 0.51
MAPK13 O15264 1/20 0.49
PIM1 P11309 1/20 0.49
EPHA2 P29317 1/20 0.47
GSK3A P49840 1/20 0.47
TLR8 Q9NR97 1/20 0.47
KDM4E B2RXH2 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
SCHEMBL5819966 0.92 CDKN1A (0.75) CDKN1ABRAFMAPK13PIM1EPHA2
SCHEMBL5813838 0.91 CDKN1A (0.67) CDKN1ABRAFMAPK13PIM1EPHA2
SCHEMBL5810475 0.91 CDKN1A (0.69) CDKN1ABRAFMAPK13PIM1EPHA2
SCHEMBL5613426 0.90 CDKN1A (0.77) CDKN1ABRAFMAPK13PIM1EPHA2
SCHEMBL4497345 0.89 CDKN1A (0.79) CDKN1ABRAFMAPK13PIM1EPHA2
SCHEMBL5808894 0.89 CDKN1A (0.79) CDKN1ABRAFMAPK13PIM1EPHA2
SCHEMBL5822373 0.89 CDKN1A (0.71) CDKN1ABRAFMAPK13PIM1EPHA2
SCHEMBL5811516 0.88 CDKN1A (0.77) CDKN1ABRAFMAPK13PIM1EPHA2
SCHEMBL5819755 0.88 CDKN1A (0.74) CDKN1ABRAFMAPK13PIM1EPHA2
SCHEMBL4781463 0.88 CDKN1A (0.77) CDKN1ABRAFMAPK13PIM1EPHA2

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 2 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
US-20060063784-A1 Method of using substituted pyrazolo [1,5-a] pyrimidines WYETH 2006-03-23 US claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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-20060063784-A1 Method of using substituted pyrazolo [1,5-a] pyrimidines TYMP, DPYD, TYMS CDKN1A 89/4885BRAF 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.