SCHEMBL1279265

SCHEMBL1279265

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ KCNQ3 O43525 2/20 0.37
▸ KCNQ2 O43526 2/20 0.37
▸ KDM4E B2RXH2 6/20 0.37
▸ L3MBTL1 Q9Y468 3/20 0.37
▸ RXFP1 Q9HBX9 1/20 0.37
▸ ALDH1A1 P00352 4/20 0.37
▸ KMT2A Q03164 3/20 0.37
▸ MEN1 O00255 2/20 0.37
▸ HPGD P15428 2/20 0.37
▸ ARF6 P62330 3/20 0.36
▸ LMNA P02545 2/20 0.35
▸ HTT P42858 2/20 0.35
▸ ADORA3 P0DMS8 2/20 0.35
▸ GLA P06280 1/20 0.35
▸ GAA P10253 1/20 0.35
▸ HSD17B10 Q99714 1/20 0.35
▸ PARP1 P09874 1/20 0.35
▸ APOBEC3A P31941 1/20 0.35
▸ MAPK14 Q16539 1/20 0.35

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
SCHEMBL1278817 0.92 SMN1; SMN2 (0.39) SMN1; SMN2KCNQ3KCNQ2KDM4EL3MBTL1
SCHEMBL1279413 0.92 SMN1; SMN2 (0.36) SMN1; SMN2KCNQ3KCNQ2KDM4EL3MBTL1
SCHEMBL1613643 0.87 KDM4E (0.41) SMN1; SMN2KCNQ3KCNQ2KDM4EL3MBTL1
SCHEMBL1278649 0.87 KDM4E (0.39) SMN1; SMN2KCNQ3KCNQ2KDM4EL3MBTL1
SCHEMBL1279218 0.84 KCNQ3 (0.35) SMN1; SMN2KCNQ3KCNQ2KDM4EL3MBTL1
SCHEMBL1278980 0.84 ALDH1A1 (0.43) SMN1; SMN2KCNQ3KCNQ2KDM4EL3MBTL1
SCHEMBL1279401 0.84 ARF6 (0.36) SMN1; SMN2KCNQ3KCNQ2KDM4EL3MBTL1
SCHEMBL1279158 0.82 ADORA3 (0.39) SMN1; SMN2KCNQ3KCNQ2KDM4EL3MBTL1
SCHEMBL1279377 0.82 ARF6 (0.46) KDM4EL3MBTL1ALDH1A1KMT2AMEN1
SCHEMBL1278995 0.82 KCNQ3 (0.41) SMN1; SMN2KCNQ3KCNQ2KDM4EL3MBTL1

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 SMN1; SMN2 2476/4885KCNQ3 12/4885KCNQ2 9/4885

“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.

Send feedback