Sugi Predict

Sugi Predict / Compounds / SCHEMBL1279413

SCHEMBL1279413

SCHEMBL1279413

CC(C)(C)c1cc(=O)n2nc(C(F)(F)F)c(-c3cccs3)c2[nH]1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ KCNQ3 O43525 2/20 0.36
▸ KCNQ2 O43526 2/20 0.36
▸ ALDH1A1 P00352 6/20 0.36
▸ LMNA P02545 2/20 0.36
▸ KDM4E B2RXH2 6/20 0.35
▸ L3MBTL1 Q9Y468 3/20 0.35
▸ MAPK14 Q16539 1/20 0.35
▸ RXFP1 Q9HBX9 1/20 0.35
▸ HPGD P15428 2/20 0.35
▸ KMT2A Q03164 2/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ CA12 O43570 1/20 0.34
▸ CA9 Q16790 1/20 0.34
▸ ARF6 P62330 3/20 0.34
▸ GLA P06280 2/20 0.33
▸ GAA P10253 2/20 0.33
▸ ADORA3 P0DMS8 1/20 0.33
▸ GABRP O00591 1/20 0.33
▸ GABRD O14764 1/20 0.33

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
SCHEMBL1279265 0.92 SMN1; SMN2 (0.41) SMN1; SMN2KCNQ3KCNQ2ALDH1A1LMNA
SCHEMBL1278649 0.89 KDM4E (0.39) SMN1; SMN2KCNQ3KCNQ2ALDH1A1LMNA
SCHEMBL1278817 0.87 SMN1; SMN2 (0.39) SMN1; SMN2KCNQ3KCNQ2ALDH1A1LMNA
SCHEMBL1615005 0.85 ALDH1A1 (0.38) SMN1; SMN2ALDH1A1LMNAKDM4EHPGD
SCHEMBL1279218 0.83 KCNQ3 (0.35) SMN1; SMN2KCNQ3KCNQ2ALDH1A1LMNA
SCHEMBL1613643 0.82 KDM4E (0.41) SMN1; SMN2KCNQ3KCNQ2ALDH1A1LMNA
SCHEMBL1279027 0.81 POLB (0.46) KCNQ3KCNQ2ALDH1A1LMNAKDM4E
SCHEMBL1279401 0.81 ARF6 (0.36) SMN1; SMN2KCNQ3KCNQ2ALDH1A1LMNA
SCHEMBL1278980 0.81 ALDH1A1 (0.43) SMN1; SMN2KCNQ3KCNQ2ALDH1A1LMNA
SCHEMBL1278995 0.79 KCNQ3 (0.41) SMN1; SMN2KCNQ3KCNQ2ALDH1A1LMNA

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.