SCHEMBL6071504

SCHEMBL6071504

O=C(CC1CCCC1)Nc1cccc(-c2ccnc3c(C(=O)c4cccs4)cnn23)c1

nearest known ligand 0.75

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CDKN1A P38936 1/20 0.75
BRAF P15056 16/20 0.47
MAPK13 O15264 1/20 0.44
PIM1 P11309 1/20 0.44
EPHA2 P29317 1/20 0.42
GSK3A P49840 1/20 0.42

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
SCHEMBL5946435 0.99 CDKN1A (0.74) CDKN1ABRAFMAPK13PIM1
SCHEMBL5946458 0.99 CDKN1A (0.74) CDKN1ABRAFMAPK13PIM1
SCHEMBL5820690 0.94 CDKN1A (0.73) CDKN1ABRAFMAPK13PIM1EPHA2
SCHEMBL5808579 0.92 CDKN1A (0.73) CDKN1ABRAFMAPK13PIM1
SCHEMBL5809472 0.92 CDKN1A (0.70) CDKN1ABRAFMAPK13PIM1EPHA2
SCHEMBL5822798 0.91 CDKN1A (0.70) CDKN1ABRAFMAPK13PIM1EPHA2
SCHEMBL5812863 0.88 CDKN1A (0.72) CDKN1ABRAFMAPK13PIM1
SCHEMBL5810676 0.88 CDKN1A (0.71) CDKN1ABRAFMAPK13PIM1
SCHEMBL5820313 0.88 CDKN1A (0.93) CDKN1ABRAFMAPK13PIM1EPHA2
SCHEMBL5823787 0.88 CDKN1A (0.71) CDKN1ABRAFMAPK13PIM1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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.