SCHEMBL3563176

SCHEMBL3563176

O=C(O)c1cnc2c(-c3cccc(Cl)c3)cnn2c1

nearest known ligand 0.71

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.71
KDR P35968 6/20 0.61
EGLN1 Q9GZT9 1/20 0.54
KMT2A Q03164 2/20 0.54
NPC1 O15118 2/20 0.50
RAB9A P51151 2/20 0.50
MEN1 O00255 1/20 0.50
MAP4K4 O95819 1/20 0.49
PIM1 P11309 3/20 0.44
PIM2 Q9P1W9 2/20 0.44
JAK2 O60674 2/20 0.42
CYP3A4 P08684 1/20 0.42
ALKBH1 Q13686 1/20 0.42
KMO O15229 1/20 0.41
FYN P06241 1/20 0.41

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
SCHEMBL6367566 0.86 HPGD (0.66) HPGDKDRKMT2ANPC1RAB9A
SCHEMBL3565469 0.83 HPGD (0.62) HPGDKDRKMT2ANPC1RAB9A
SCHEMBL23675223 0.83 HPGD (1.00) HPGDKDRKMT2ANPC1RAB9A
SCHEMBL3620632 0.78 LCK (0.53) HPGDKDR
SCHEMBL7614374 0.76 KDR (1.00) HPGDKDRKMT2A
SCHEMBL3620570 0.76 GAK (0.64) HPGDKDREGLN1KMT2ANPC1
SCHEMBL3563380 0.75 CYBB (0.59) HPGDKDRPIM1PIM2JAK2
SCHEMBL13501075 0.75 CYBB (0.57) HPGDKDRKMT2AMEN1PIM1
SCHEMBL13501043 0.75 CYBB (0.72) HPGDKDRKMT2AMEN1CYP3A4
SCHEMBL13275140 0.73 NPC1 (0.55) HPGDEGLN1KMT2ANPC1RAB9A

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 HPGD 14/4885KDR 3317/4885EGLN1 926/4885

“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.