SCHEMBL5823656

SCHEMBL5823656

CC(C)(C)OC(=O)N1CCC(C(=O)Nc2cccc(-c3ccnc4c(C(=O)c5cccs5)cnn34)c2)CC1

nearest known ligand 0.79

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CDKN1A P38936 1/20 0.79
PTPN2 P17706 1/20 0.45
PTPN1 P18031 1/20 0.45
PTPN6 P29350 1/20 0.45
BRAF P15056 13/20 0.44
MAPK13 O15264 1/20 0.43
PIM1 P11309 1/20 0.43
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
ALDH1A1 P00352 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
PABPC1 P11940 1/20 0.42
EIF4H Q15056 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
SCHEMBL6071244 0.94 CDKN1A (0.69) CDKN1APTPN2PTPN1PTPN6BRAF
SCHEMBL5800545 0.90 CDKN1A (0.66) CDKN1ABRAFMAPK13PIM1
SCHEMBL5814680 0.90 CDKN1A (0.86) CDKN1APTPN1BRAFMAPK13PIM1
SCHEMBL5808313 0.89 CDKN1A (0.88) CDKN1ABRAFMAPK13PIM1PABPC1
SCHEMBL5823272 0.89 CDKN1A (1.00) CDKN1ABRAFMAPK13PIM1NPC1
SCHEMBL5820313 0.87 CDKN1A (0.93) CDKN1ABRAFMAPK13PIM1RAB9A
SCHEMBL5822354 0.87 CDKN1A (0.93) CDKN1ABRAFMAPK13PIM1RAB9A
SCHEMBL5821207 0.86 CDKN1A (0.92) CDKN1ABRAFMAPK13PIM1RAB9A
SCHEMBL5808580 0.86 CDKN1A (0.92) CDKN1ABRAFMAPK13PIM1
SCHEMBL5823635 0.84 CDKN1A (0.57) CDKN1ABRAF

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 3 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
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 28/4885PTPN2 1593/4885PTPN1 1017/4885
US-20060063784-A1 Method of using substituted pyrazolo [1,5-a] pyrimidines TYMP, DPYD, TYMS CDKN1A 89/4885PTPN2 1774/4885PTPN1 1358/4885

“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.