SCHEMBL5808663

SCHEMBL5808663

O=C(Nc1cccc(-c2ccnc3c(C(=O)c4cccs4)cnn23)c1)NC1CCCCC1

nearest known ligand 0.75

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CDKN1A P38936 1/20 0.75
BRAF P15056 11/20 0.47
KDR P35968 5/20 0.45
EGFR P00533 1/20 0.45
ERBB2 P04626 1/20 0.45
MET P08581 1/20 0.45
MERTK Q12866 1/20 0.45
FGFR3 P22607 4/20 0.45
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
SCHEMBL5797079 0.99 CDKN1A (0.76) CDKN1ABRAFKDREGFRERBB2
SCHEMBL5800548 0.97 CDKN1A (0.80) CDKN1ABRAFKDRFGFR3MAPK13
SCHEMBL5821207 0.89 CDKN1A (0.92) CDKN1ABRAFMAPK13PIM1EPHA2
SCHEMBL5812863 0.88 CDKN1A (0.72) CDKN1ABRAFKDRMAPK13PIM1
SCHEMBL5820313 0.88 CDKN1A (0.93) CDKN1ABRAFMAPK13PIM1EPHA2
SCHEMBL5809412 0.87 CDKN1A (0.73) CDKN1ABRAFMAPK13PIM1EPHA2
SCHEMBL5813193 0.86 CDKN1A (0.76) CDKN1ABRAFMAPK13PIM1EPHA2
SCHEMBL5946435 0.86 CDKN1A (0.74) CDKN1ABRAFMAPK13PIM1
SCHEMBL5822266 0.86 CDKN1A (0.74) CDKN1ABRAFMAPK13PIM1EPHA2
SCHEMBL5946458 0.86 CDKN1A (0.74) 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 8 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
WO-2006033796-A1 SUBSTITUTED PYRAZOLO [1,5-a] PYRIMIDINES AND PROCESS FOR MAKING SAME 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-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 28/4885BRAF 214/4885KDR 2503/4885
US-20060063784-A1 Method of using substituted pyrazolo [1,5-a] pyrimidines TYMP, DPYD, TYMS CDKN1A 89/4885BRAF 523/4885KDR 3835/4885

“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.