SCHEMBL3563380

SCHEMBL3563380

O=C(O)c1ccn2ncc(-c3cccc(Cl)c3)c2n1

nearest known ligand 0.59

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CYBB P04839 2/20 0.59
SLC2A1 P11166 1/20 0.59
PIM1 P11309 13/20 0.57
PIM2 Q9P1W9 9/20 0.57
FLT3 P36888 1/20 0.50
HPGD P15428 1/20 0.47
JAK2 O60674 1/20 0.47
CYP3A4 P08684 1/20 0.47
KDR P35968 1/20 0.46
CAMKK1 Q8N5S9 1/20 0.46
CAMKK2 Q96RR4 1/20 0.46

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
SCHEMBL13500717 0.89 CYBB (0.61) CYBBSLC2A1PIM1PIM2FLT3
SCHEMBL13500787 0.86 SLC2A1 (0.72) CYBBSLC2A1PIM1PIM2FLT3
SCHEMBL17085461 0.86 FYN (0.50) CYBBSLC2A1PIM1PIM2CAMKK1
SCHEMBL20723060 0.85 PIM1 (0.52) CYBBSLC2A1PIM1PIM2KDR
SCHEMBL13500813 0.85 SLC2A1 (0.70) CYBBSLC2A1PIM1PIM2FLT3
SCHEMBL13500843 0.84 CYBB (0.69) CYBBSLC2A1PIM1PIM2JAK2
SCHEMBL13501074 0.84 SLC2A1 (0.72) CYBBSLC2A1PIM1PIM2FLT3
SCHEMBL13500815 0.84 SLC2A1 (0.75) CYBBSLC2A1PIM1PIM2FLT3
SCHEMBL13500791 0.83 CYBB (0.70) CYBBSLC2A1PIM1PIM2JAK2
SCHEMBL3562267 0.83 CYBB (0.54) CYBBSLC2A1PIM1PIM2FLT3

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7662826-B2 Pyrazolo [1,5-a] pyrimidine derivative and nad (p) h oxidase inhibitor containing the same SHIONOGI & CO., LTD. (JP) 2010-02-16 US disclosed
US-7662826-B2 Pyrazolo [1,5-a] pyrimidine derivative and nad (p) h oxidase inhibitor containing the same SHIONOGI & CO., LTD. (JP) 2010-02-16 US disclosed
US-7662826-B2 Pyrazolo [1,5-a] pyrimidine derivative and nad (p) h oxidase inhibitor containing the same SHIONOGI & CO., LTD. (JP) 2010-02-16 US disclosed
US-20060089362-A1 Pyrazolo [1,5-a] pyrimidine derivative and nad (p) h oxidase inhibitor containing the same SHIONOGI & CO., LTD (JP) 2006-04-27 US disclosed
EP-1505068-A1 PYRAZOLO (1,5-a) PYRIMIDINE DERIVATIVE AND NAD(P)H OXIDASE INHIBITOR CONTAINING THE SAME SHIONOGI & CO., LTD. (JP) 2005-02-09 EP 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 (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-20060089362-A1 Pyrazolo [1,5-a] pyrimidine derivative and nad (p) h oxidase inhibitor containing the same NADK, PNPO, NQO1 CYBB 21/4885SLC2A1 2073/4885PIM1 2270/4885

“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.