SCHEMBL1614499

SCHEMBL1614499

Cc1nn2c(=O)cc(-c3cccc([N+](=O)[O-])c3)[nH]c2c1-c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.50
RAB9A P51151 2/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
MAPT P10636 4/20 0.48
GAA P10253 1/20 0.48
ADORA2A P29274 1/20 0.47
ADORA1 P30542 1/20 0.47
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
POLB P06746 1/20 0.46
ALDH1A1 P00352 2/20 0.42
KCNQ3 O43525 1/20 0.42
KCNQ2 O43526 1/20 0.42
NFKB1 P19838 1/20 0.42
NFKB2 Q00653 1/20 0.42
RELA Q04206 1/20 0.42
GUSB P08236 1/20 0.42
CYP19A1 P11511 1/20 0.42
LMNA P02545 1/20 0.41
THRB P10828 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
SCHEMBL19084536 0.89 PSD (0.48) NPC1RAB9ASMN1; SMN2MAPTGAA
SCHEMBL1614608 0.87 PSD (0.47) NPC1RAB9ASMN1; SMN2MAPTGAA
SCHEMBL1614330 0.86 KCNQ3 (0.47) NPC1RAB9ASMN1; SMN2MAPTGAA
SCHEMBL1614504 0.85 ADORA2A (0.45) NPC1RAB9ASMN1; SMN2MAPTGAA
SCHEMBL1278581 0.84 KCNQ3 (0.52) NPC1RAB9ASMN1; SMN2MAPTGAA
SCHEMBL19084539 0.83 PSD (0.52) NPC1RAB9ASMN1; SMN2MAPTADORA2A
SCHEMBL13516359 0.80 PSD (0.48) NPC1RAB9ASMN1; SMN2MAPTADORA2A
SCHEMBL13516556 0.80 ADORA2A (0.41) NPC1RAB9ASMN1; SMN2MAPTGAA
SCHEMBL1614394 0.79 PDE4B (0.54) RAB9AMAPTMEN1KMT2AALDH1A1
SCHEMBL19084553 0.79 MAPT (0.54) NPC1RAB9ASMN1; SMN2MAPTGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8796285-B2 Pyrazolo [1,5-a]-pyrimidones derivatives and pharmaceutical compositions and uses thereof HEBEI MEDICAL UNIVERSITY (CN) 2014-08-05 US disclosed
US-20120088775-A1 Pyrazolo-[1,5-a]-Pyrimidones Derivatives and Pharmaceutical Compositions and Uses Thereof PEKING UNIVERSITY (CN) 2012-04-12 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 (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-20120088775-A1 Pyrazolo-[1,5-a]-Pyrimidones Derivatives and Pharmaceutical Compositions and Uses Thereof KCNJ2, KCNQ5, KCNJ11 NPC1 1230/4885RAB9A 4070/4885SMN1; SMN2 2476/4885

“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.