SCHEMBL1279185

SCHEMBL1279185

O=c1cc(-c2cccc([N+](=O)[O-])c2)[nH]c2c(-c3cccs3)c(C(F)(F)F)nn12

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KCNQ3 O43525 2/20 0.54
▸ KCNQ2 O43526 2/20 0.54
▸ MAPT P10636 6/20 0.47
▸ MEN1 O00255 5/20 0.47
▸ KMT2A Q03164 5/20 0.47
▸ HTT P42858 3/20 0.47
▸ CYP1A2 P05177 2/20 0.47
▸ CYP2D6 P10635 2/20 0.47
▸ CYP2C19 P33261 2/20 0.47
▸ ALDH1A1 P00352 2/20 0.47
▸ SMN1; SMN2 Q16637 2/20 0.47
▸ HCRTR1 O43613 1/20 0.47
▸ CYP3A4 P08684 1/20 0.47
▸ CYP2C9 P11712 1/20 0.47
▸ ALPL P05186 1/20 0.44
▸ ALPI P09923 1/20 0.44
▸ NPC1 O15118 2/20 0.42
▸ RAB9A P51151 1/20 0.42
▸ JAK2 O60674 1/20 0.39
▸ TYK2 P29597 1/20 0.39

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
SCHEMBL1278581 0.87 KCNQ3 (0.52) KCNQ3KCNQ2MAPTMEN1KMT2A
SCHEMBL1278844 0.86 MAPT (0.49) KCNQ3KCNQ2MAPTMEN1KMT2A
SCHEMBL1614330 0.86 KCNQ3 (0.47) KCNQ3KCNQ2MAPTMEN1KMT2A
SCHEMBL1278980 0.85 ALDH1A1 (0.43) KCNQ3KCNQ2MAPTMEN1KMT2A
SCHEMBL19084589 0.83 PSD (0.54) KCNQ3KCNQ2MAPTMEN1KMT2A
SCHEMBL1279346 0.81 ALPL (0.44) KCNQ3KCNQ2MAPTMEN1KMT2A
SCHEMBL1279377 0.81 ARF6 (0.46) MAPTMEN1KMT2AHTTALDH1A1
SCHEMBL1278995 0.79 KCNQ3 (0.41) KCNQ3KCNQ2MEN1KMT2AHTT
SCHEMBL1278976 0.79 PDE10A (0.43) KCNQ3KCNQ2MAPTALPLALPI
SCHEMBL19084688 0.78 PSD (0.51) KCNQ3KCNQ2MAPTMEN1KMT2A

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-8796285-B2 Pyrazolo [1,5-a]-pyrimidones derivatives and pharmaceutical compositions and uses thereof HEBEI MEDICAL UNIVERSITY (CN) 2014-08-05 — — US disclosed
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
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 KCNQ3 12/4885KCNQ2 9/4885MAPT 1089/4885

“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.

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