SCHEMBL5820126

SCHEMBL5820126

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

nearest known ligand 0.70

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CDKN1A P38936 1/20 0.70
BRAF P15056 12/20 0.50
MAPK13 O15264 2/20 0.47
PIM1 P11309 1/20 0.47
LMNA P02545 1/20 0.46
TP53 P04637 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.45
EPHA2 P29317 1/20 0.45
GSK3A P49840 1/20 0.45
LIMK1 P53667 1/20 0.45
MARK2 Q7KZI7 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
SCHEMBL5820224 0.97 CDKN1A (0.69) CDKN1ABRAFMAPK13PIM1LMNA
SCHEMBL5821831 0.97 CDKN1A (0.68) CDKN1ABRAFMAPK13PIM1LMNA
SCHEMBL5796653 0.97 CDKN1A (0.68) CDKN1ABRAFMAPK13PIM1LMNA
SCHEMBL6071393 0.95 CDKN1A (0.72) CDKN1ABRAFMAPK13PIM1SMN1; SMN2
SCHEMBL5808859 0.92 CDKN1A (0.71) CDKN1ABRAFMAPK13PIM1EPHA2
SCHEMBL5811686 0.92 CDKN1A (0.70) CDKN1ABRAFMAPK13PIM1EPHA2
SCHEMBL5812695 0.92 CDKN1A (0.70) CDKN1ABRAFMAPK13PIM1EPHA2
SCHEMBL4781463 0.91 CDKN1A (0.77) CDKN1ABRAFMAPK13PIM1LMNA
SCHEMBL5796645 0.90 CDKN1A (0.70) CDKN1ABRAFMAPK13PIM1EPHA2
SCHEMBL5813025 0.90 CDKN1A (0.72) 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.