SCHEMBL3559993

SCHEMBL3559993

CCOC(=O)c1cc(Cl)n2nc(-c3ccccc3)cc2n1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 3/20 0.58
MAPT P10636 3/20 0.58
RXFP1 Q9HBX9 2/20 0.55
TP53 P04637 1/20 0.55
SMN1; SMN2 Q16637 4/20 0.53
POLB P06746 1/20 0.53
KDM4E B2RXH2 5/20 0.52
HPGD P15428 3/20 0.52
TDP1 Q9NUW8 2/20 0.52
MEN1 O00255 1/20 0.52
CYP1A2 P05177 1/20 0.52
CYP3A4 P08684 1/20 0.52
GAA P10253 1/20 0.52
CYP2C9 P11712 1/20 0.52
CYP2C19 P33261 1/20 0.52
KMT2A Q03164 1/20 0.52
GABRA2 P47869 4/20 0.49
GABRB2 P47870 4/20 0.49
ALDH1A1 P00352 3/20 0.48
NPC1 O15118 4/20 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
SCHEMBL13501425 0.88 HSD17B10 (0.60) HSD17B10MAPTRXFP1TP53SMN1; SMN2
SCHEMBL12465793 0.87 MAPT (0.53) HSD17B10MAPTRXFP1TP53SMN1; SMN2
SCHEMBL25973792 0.87 KDM4E (0.62) HSD17B10MAPTRXFP1TP53SMN1; SMN2
SCHEMBL23998449 0.86 ADORA2A (0.45) HSD17B10MAPTRXFP1TP53SMN1; SMN2
SCHEMBL31384728 0.84 KDM4E (0.44) HSD17B10MAPTRXFP1TP53SMN1; SMN2
SCHEMBL23998403 0.83 ALDH1A1 (0.59) HSD17B10MAPTTP53SMN1; SMN2POLB
SCHEMBL21177423 0.82 KDM4E (0.45) HSD17B10MAPTRXFP1SMN1; SMN2POLB
SCHEMBL30251059 0.80 KDM4E (0.40) HSD17B10MAPTRXFP1TP53SMN1; SMN2
SCHEMBL23998190 0.80 KDM4E (0.40) HSD17B10MAPTRXFP1TP53SMN1; SMN2
SCHEMBL3561838 0.79 MAPT (0.55) HSD17B10MAPTRXFP1TP53SMN1; SMN2

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 4 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-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 HSD17B10 873/4885MAPT 2839/4885RXFP1 1754/4885

“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.