SCHEMBL5812666

SCHEMBL5812666

O=C(Nc1cccc(-c2ccnc3c(C(=O)c4cccs4)cnn23)c1)c1c(F)cccc1F

nearest known ligand 0.72

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CDKN1A P38936 1/20 0.72
BRAF P15056 16/20 0.51
MAPK13 O15264 1/20 0.50
PIM1 P11309 1/20 0.50
EPHA2 P29317 1/20 0.48
GSK3A P49840 1/20 0.48

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
SCHEMBL5798329 0.92 CDKN1A (0.71) CDKN1ABRAFMAPK13PIM1EPHA2
SCHEMBL5808794 0.91 CDKN1A (0.77) CDKN1ABRAFMAPK13PIM1EPHA2
SCHEMBL5808894 0.91 CDKN1A (0.79) CDKN1ABRAFMAPK13PIM1EPHA2
SCHEMBL5799638 0.90 CDKN1A (0.70) CDKN1ABRAF
SCHEMBL5810638 0.89 CDKN1A (0.69) CDKN1ABRAFMAPK13PIM1
SCHEMBL5814280 0.89 CDKN1A (0.71) CDKN1ABRAFMAPK13PIM1EPHA2
SCHEMBL5809397 0.89 CDKN1A (0.59) CDKN1ABRAFMAPK13PIM1EPHA2
SCHEMBL5807557 0.88 CDKN1A (0.74) CDKN1ABRAFMAPK13PIM1EPHA2
SCHEMBL5796947 0.88 CDKN1A (0.74) CDKN1ABRAFMAPK13PIM1EPHA2
SCHEMBL5813801 0.87 CDKN1A (0.69) 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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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 214/4885MAPK13 1171/4885
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.