SCHEMBL5823787

SCHEMBL5823787

O=C(Nc1cccc(-c2ccnc3c(C(=O)c4cccs4)cnn23)c1)OCC1CCCCC1

nearest known ligand 0.71

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CDKN1A P38936 1/20 0.71
MGLL Q99685 2/20 0.47
BRAF P15056 14/20 0.47
MAPK13 O15264 1/20 0.43
PIM1 P11309 1/20 0.43
HDAC3 O15379 1/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC2 Q92769 1/20 0.41

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
SCHEMBL5799547 0.98 CDKN1A (0.72) CDKN1AMGLLBRAFMAPK13PIM1
SCHEMBL5822266 0.88 CDKN1A (0.74) CDKN1AMGLLBRAFMAPK13PIM1
SCHEMBL5946435 0.88 CDKN1A (0.74) CDKN1ABRAFMAPK13PIM1
SCHEMBL5946458 0.88 CDKN1A (0.74) CDKN1ABRAFMAPK13PIM1
SCHEMBL5800413 0.88 CDKN1A (0.69) CDKN1ABRAFMAPK13PIM1
SCHEMBL6071504 0.88 CDKN1A (0.75) CDKN1ABRAFMAPK13PIM1
SCHEMBL5811978 0.88 CDKN1A (0.75) CDKN1AMGLLBRAFMAPK13PIM1
SCHEMBL5796105 0.87 CDKN1A (0.67) CDKN1ABRAFMAPK13PIM1
SCHEMBL5812863 0.87 CDKN1A (0.72) CDKN1ABRAFMAPK13PIM1
SCHEMBL5810676 0.87 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 5 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
US-20060063785-A1 Substituted pyrazolo[1,5-a] pyrimidines and process for making same WYETH 2006-03-23 US claimed
WO-2006033796-A1 SUBSTITUTED PYRAZOLO [1,5-a] PYRIMIDINES AND PROCESS FOR MAKING SAME WYETH (US) 2006-03-30 WO 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 28/4885MGLL 4852/4885BRAF 214/4885
US-20060063784-A1 Method of using substituted pyrazolo [1,5-a] pyrimidines TYMP, DPYD, TYMS CDKN1A 89/4885MGLL 4825/4885BRAF 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.