SCHEMBL5799592

SCHEMBL5799592

O=C(Nc1cccc(-c2ccnc3c(C(=O)c4cccs4)cnn23)c1)c1cccnc1

nearest known ligand 0.71

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CDKN1A P38936 1/20 0.71
HTT P42858 2/20 0.61
BRAF P15056 12/20 0.57
MEN1 O00255 1/20 0.51
KMT2A Q03164 1/20 0.51
ABL1 P00519 1/20 0.50
PDGFRB P09619 1/20 0.50
SRC P12931 1/20 0.50
PDGFRA P16234 1/20 0.50
MAPK13 O15264 1/20 0.49
PIM1 P11309 1/20 0.49
LMNA P02545 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
EPHA2 P29317 1/20 0.47
GSK3A P49840 1/20 0.47

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
SCHEMBL5807557 0.92 CDKN1A (0.74) CDKN1ABRAFMAPK13PIM1EPHA2
SCHEMBL5796947 0.92 CDKN1A (0.74) CDKN1AHTTBRAFMAPK13PIM1
SCHEMBL5808894 0.90 CDKN1A (0.79) CDKN1AHTTBRAFABL1PDGFRB
SCHEMBL5799638 0.89 CDKN1A (0.70) CDKN1ABRAF
SCHEMBL5797973 0.89 CDKN1A (0.70) CDKN1ABRAFMAPK13PIM1
SCHEMBL5799647 0.89 CDKN1A (0.69) CDKN1ABRAFMAPK13PIM1EPHA2
SCHEMBL5800357 0.88 CDKN1A (0.71) CDKN1ABRAFMAPK13PIM1EPHA2
SCHEMBL5796906 0.88 CDKN1A (0.71) CDKN1ABRAFMEN1KMT2AMAPK13
SCHEMBL5808822 0.88 CDKN1A (0.71) CDKN1ABRAFMAPK13PIM1EPHA2
SCHEMBL5814280 0.88 CDKN1A (0.71) CDKN1ABRAFMEN1KMT2AMAPK13

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 28/4885HTT 2696/4885BRAF 214/4885
US-20060063784-A1 Method of using substituted pyrazolo [1,5-a] pyrimidines TYMP, DPYD, TYMS CDKN1A 89/4885HTT 2314/4885BRAF 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.