SCHEMBL3564589

SCHEMBL3564589

O=C(O)c1ccn2nc(-c3ccccc3)cc2n1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.52
ALDH1A1 P00352 3/20 0.52
HSD17B10 Q99714 2/20 0.47
KMO O15229 1/20 0.46
LDHA P00338 4/20 0.46
PTGS1 P23219 1/20 0.45
PTGS2 P35354 1/20 0.45
APOBEC3A P31941 1/20 0.44
APOBEC3G Q9HC16 1/20 0.44
MCL1 Q07820 2/20 0.43
POLB P06746 1/20 0.43
PTGER1 P34995 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
RPA1 P27694 1/20 0.43
MAPT P10636 1/20 0.42
MAPK1 P28482 1/20 0.42
DHODH Q02127 1/20 0.41
ALOX15 P16050 1/20 0.41
TSHR P16473 1/20 0.41
ACMSD Q8TDX5 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
SCHEMBL30375308 0.84 F11 (0.46)
SCHEMBL12465733 0.83 MCL1 (0.51) KDM4EALDH1A1HSD17B10MCL1PTGER1
SCHEMBL22777747 0.82 ALDH1A1 (0.58) KDM4EALDH1A1HSD17B10KMOLDHA
SCHEMBL3561838 0.81 MAPT (0.55) KDM4EALDH1A1HSD17B10POLBL3MBTL1
SCHEMBL23998389 0.80 KDM4E (0.49) KDM4EALDH1A1HSD17B10PTGS1MCL1
SCHEMBL13500768 0.79 RAB9A (0.46) ALDH1A1MAPT
SCHEMBL16619771 0.79 APOBEC3A (0.41) KDM4EALDH1A1LDHAPTGS1PTGS2
SCHEMBL17141136 0.79 KDM4E (0.43) KDM4EALDH1A1HSD17B10PTGS1PTGS2
SCHEMBL20723052 0.78 KDM4E (0.50) KDM4EALDH1A1PTGS1PTGS2APOBEC3A
SCHEMBL20723260 0.78 MAPT (0.45) KDM4EALDH1A1HSD17B10PTGS1PTGS2

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 KDM4E 3108/4885ALDH1A1 85/4885HSD17B10 873/4885

“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.