SCHEMBL6071244

SCHEMBL6071244

CC(C)(C)OC(=O)N1CCC(C(=O)Nc2cccc(-c3ccnc4c(C(=O)c5cccs5)cnn34)c2)CC1.CC(C)CNc1cccc(-c2ccnc3c(C(=O)c4cccs4)cnn23)c1

nearest known ligand 0.69

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CDKN1A P38936 1/20 0.69
BRAF P15056 15/20 0.41
PTPN2 P17706 1/20 0.39
PTPN1 P18031 1/20 0.39
PTPN6 P29350 1/20 0.39
USP30 Q70CQ3 1/20 0.39
MAPK13 O15264 1/20 0.38
PIM1 P11309 1/20 0.38

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
SCHEMBL5823656 0.94 CDKN1A (0.79) CDKN1ABRAFPTPN2PTPN1PTPN6
SCHEMBL5800545 0.86 CDKN1A (0.66) CDKN1ABRAFMAPK13PIM1
SCHEMBL5822254 0.84 CDKN1A (0.68) CDKN1ABRAFMAPK13PIM1
SCHEMBL5814680 0.84 CDKN1A (0.86) CDKN1ABRAFPTPN1MAPK13PIM1
SCHEMBL5808313 0.83 CDKN1A (0.88) CDKN1ABRAFMAPK13PIM1
SCHEMBL5823272 0.83 CDKN1A (1.00) CDKN1ABRAFMAPK13PIM1
SCHEMBL5822354 0.81 CDKN1A (0.93) CDKN1ABRAFMAPK13PIM1
SCHEMBL5820313 0.81 CDKN1A (0.93) CDKN1ABRAFMAPK13PIM1
SCHEMBL5821207 0.81 CDKN1A (0.92) CDKN1ABRAFMAPK13PIM1
SCHEMBL5808580 0.81 CDKN1A (0.92) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 523/4885PTPN2 1774/4885

“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.