SCHEMBL1279401

SCHEMBL1279401

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

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ARF6 P62330 4/20 0.36
▸ KDM4E B2RXH2 6/20 0.36
▸ KCNQ3 O43525 2/20 0.35
▸ KCNQ2 O43526 2/20 0.35
▸ MAPK14 Q16539 1/20 0.35
▸ ALDH1A1 P00352 5/20 0.34
▸ L3MBTL1 Q9Y468 3/20 0.34
▸ KMT2A Q03164 2/20 0.34
▸ RXFP1 Q9HBX9 1/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ HPGD P15428 1/20 0.34
▸ TYMP P19971 1/20 0.34
▸ PLAT P00750 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ GAA P10253 2/20 0.33
▸ GABRP O00591 1/20 0.33
▸ GABRD O14764 1/20 0.33
▸ GABRA1 P14867 1/20 0.33
▸ GABRB1 P18505 1/20 0.33
▸ GABRG2 P18507 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 0.84 SMN1; SMN2 (0.41) ARF6KDM4EKCNQ3KCNQ2MAPK14
SCHEMBL1278499 0.84 TYMP (0.39) KDM4EALDH1A1KMT2AMEN1TYMP
SCHEMBL1279212 0.84 ADORA2A (0.35) KDM4EKCNQ3KCNQ2MAPK14ALDH1A1
SCHEMBL1278649 0.83 KDM4E (0.39) ARF6KDM4EKCNQ3KCNQ2MAPK14
SCHEMBL1279326 0.83 MEN1 (0.38) KDM4EALDH1A1KMT2AMEN1HPGD
SCHEMBL15909113 0.83 POLB (0.36) KDM4EALDH1A1RXFP1HPGDGAA
SCHEMBL1650200 0.83 PLAT (0.36) ARF6KDM4EKCNQ3KCNQ2MAPK14
SCHEMBL15926359 0.82 KDM4E (0.35) KDM4EKCNQ3KCNQ2ALDH1A1L3MBTL1
SCHEMBL15926361 0.82 HCAR2 (0.35) ARF6KDM4EKCNQ3KCNQ2MAPK14
SCHEMBL1278756 0.82 ARF6 (0.47) ARF6KDM4EKCNQ3KCNQ2ALDH1A1

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 ARF6 3851/4885KDM4E 1364/4885KCNQ3 12/4885

“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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