SCHEMBL5813025

SCHEMBL5813025

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

nearest known ligand 0.72

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CDKN1A P38936 1/20 0.72
MAPK13 O15264 2/20 0.48
PIM1 P11309 1/20 0.48
BRAF P15056 12/20 0.47
EPHA2 P29317 1/20 0.46
GSK3A P49840 1/20 0.46
MAPK9 P45984 1/20 0.44
DYRK1A Q13627 1/20 0.44
IRAK4 Q9NWZ3 1/20 0.44
LIMK1 P53667 1/20 0.44
MARK2 Q7KZI7 1/20 0.44
TLR8 Q9NR97 1/20 0.43

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
SCHEMBL5811686 0.95 CDKN1A (0.70) CDKN1AMAPK13PIM1BRAFEPHA2
SCHEMBL5796645 0.92 CDKN1A (0.70) CDKN1AMAPK13PIM1BRAFEPHA2
SCHEMBL5797957 0.91 CDKN1A (0.72) CDKN1AMAPK13PIM1BRAFEPHA2
SCHEMBL6071393 0.91 CDKN1A (0.72) CDKN1AMAPK13PIM1BRAFEPHA2
SCHEMBL5808859 0.91 CDKN1A (0.71) CDKN1AMAPK13PIM1BRAFEPHA2
SCHEMBL5812695 0.90 CDKN1A (0.70) CDKN1AMAPK13PIM1BRAFEPHA2
SCHEMBL5800298 0.90 CDKN1A (0.72) CDKN1AMAPK13PIM1BRAFEPHA2
SCHEMBL5820126 0.90 CDKN1A (0.70) CDKN1AMAPK13PIM1BRAFEPHA2
SCHEMBL5797539 0.90 CDKN1A (0.72) CDKN1AMAPK13PIM1BRAFEPHA2
SCHEMBL5946362 0.90 CDKN1A (0.72) CDKN1AMAPK13PIM1BRAF

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 4 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 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 CDKN1A 28/4885MAPK13 1171/4885PIM1 586/4885
US-20060063784-A1 Method of using substituted pyrazolo [1,5-a] pyrimidines TYMP, DPYD, TYMS CDKN1A 89/4885MAPK13 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.