SCHEMBL1278995

SCHEMBL1278995

O=c1cc(-c2cc(F)c(F)cc2F)[nH]c2c(-c3cccs3)c(C(F)(F)F)nn12

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ KCNQ3 O43525 2/20 0.41
▸ KCNQ2 O43526 2/20 0.41
▸ ARF6 P62330 6/20 0.34
▸ MAPK14 Q16539 2/20 0.33
▸ KDM4E B2RXH2 5/20 0.33
▸ ALDH1A1 P00352 4/20 0.33
▸ L3MBTL1 Q9Y468 3/20 0.33
▸ KMT2A Q03164 2/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ HPGD P15428 1/20 0.33
▸ RXFP1 Q9HBX9 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ APOBEC3A P31941 1/20 0.31
▸ HTT P42858 1/20 0.31
▸ LMNA P02545 1/20 0.31
▸ GLA P06280 1/20 0.31
▸ GAA P10253 1/20 0.31
▸ ADORA3 P0DMS8 1/20 0.31
▸ PARP1 P09874 1/20 0.31

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
SCHEMBL1279267 0.91 KCNQ3 (0.37) KCNQ3KCNQ2MAPK14ADORA3PARP1
SCHEMBL1279250 0.90 KCNQ3 (0.51) KCNQ3KCNQ2ARF6MAPK14KDM4E
SCHEMBL1649492 0.88 KCNQ3 (0.44) KCNQ3KCNQ2ARF6MAPK14KDM4E
SCHEMBL1614981 0.85 KCNQ3 (0.37) KCNQ3KCNQ2MAPK14KDM4EALDH1A1
SCHEMBL1278980 0.84 ALDH1A1 (0.43) KCNQ3KCNQ2ARF6MAPK14KDM4E
SCHEMBL1279264 0.83 ARF6 (0.45) KCNQ3KCNQ2ARF6KDM4EALDH1A1
SCHEMBL1279377 0.82 ARF6 (0.46) ARF6MAPK14KDM4EALDH1A1L3MBTL1
SCHEMBL1279265 0.82 SMN1; SMN2 (0.41) KCNQ3KCNQ2ARF6MAPK14KDM4E
SCHEMBL1278649 0.81 KDM4E (0.39) KCNQ3KCNQ2ARF6MAPK14KDM4E
SCHEMBL1648643 0.80 KCNQ3 (0.41) KCNQ3KCNQ2MAPK14KDM4EALDH1A1

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 9/4885ARF6 3851/4885

“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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