Sugi Predict

Sugi Predict / Compounds / SCHEMBL1346544

SCHEMBL1346544

SCHEMBL1346544

NS(=O)(=O)c1ccc(C#Cc2cnn3c(C(F)(F)F)cc(-c4cccc(C(F)(F)F)c4)nc23)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 8/20 0.48
▸ CYP2C9 P11712 1/20 0.48
▸ CYP2C19 P33261 1/20 0.48
▸ KDM4E B2RXH2 9/20 0.46
▸ ALDH1A1 P00352 6/20 0.46
▸ CYP3A4 P08684 2/20 0.46
▸ GAA P10253 2/20 0.46
▸ HSD17B10 Q99714 4/20 0.44
▸ MAPK1 P28482 2/20 0.44
▸ NPSR1 Q6W5P4 2/20 0.43
▸ CYP1A2 P05177 1/20 0.43
▸ RXFP1 Q9HBX9 1/20 0.43
▸ CA12 O43570 4/20 0.43
▸ CA1 P00915 4/20 0.43
▸ CA2 P00918 4/20 0.43
▸ CA9 Q16790 4/20 0.43
▸ MAPT P10636 2/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ THRB P10828 1/20 0.39
▸ TSHR P16473 2/20 0.38

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
SCHEMBL1348364 0.92 HPGD (0.50) HPGDCYP2C9CYP2C19KDM4EALDH1A1
SCHEMBL1348929 0.91 HPGD (0.48) HPGDCYP2C9CYP2C19KDM4EALDH1A1
SCHEMBL1349087 0.90 CA12 (0.45) HPGDCYP2C9CYP2C19KDM4EALDH1A1
SCHEMBL1349050 0.86 HPGD (0.43) HPGDCYP2C9CYP2C19KDM4EALDH1A1
SCHEMBL1348962 0.84 HPGD (0.50) HPGDCYP2C9CYP2C19KDM4EALDH1A1
SCHEMBL1349443 0.84 HPGD (0.41) HPGDCYP2C9CYP2C19KDM4EALDH1A1
SCHEMBL1348264 0.84 HPGD (0.47) HPGDCYP2C9CYP2C19KDM4EALDH1A1
SCHEMBL1346131 0.83 LCK (0.43) HPGDCYP2C9CYP2C19KDM4EALDH1A1
SCHEMBL1348841 0.83 HPGD (0.44) HPGDCYP2C9CYP2C19KDM4EALDH1A1
SCHEMBL1347011 0.82 CA12 (0.44) HPGDCYP2C9CYP2C19KDM4EALDH1A1

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 21 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-4801724-B2 — — 2011-10-26 — — JP claimed
CN-101180299-B Ethynyl-pyrazolopyrimidine derivatives as MGLUR2 antagonists HOFFMANN LA ROCHE 2010-12-15 — — CN claimed
EP-1863818-B1 ACETYLENYL-PYRAZOLO-PVRIMIDINE DERIVATIVES AS MGLUR2 ANTAGONISTS HOFFMANN LA ROCHE (CH) 2010-03-10 — — EP claimed
CN-101180299-A Ethynyl-pyrazolopyrimidine derivatives as MGLUR2 antagonists HOFFMANN LA ROCHE (CH) 2008-05-14 — — CN claimed
EP-1863818-A1 ACETYLENYL-PYRAZOLO-PVRIMIDINE DERIVATIVES AS MGLUR2 ANTAGONISTS F.HOFFMANN-LA ROCHE AG (CH) 2007-12-12 — — EP claimed
US-7238808-B2 Acetylenyl-pyrazolo-pyrimidine derivatives HOFFMANN-LA ROCHE INC. (US) 2007-07-03 — — US claimed
US-20060217387-A1 Acetylenyl-pyrazolo-pyrimidine derivatives F. HOFFMANN-LA ROCHE AG, A SWISS COMPANY (CH) 2006-09-28 — — US claimed
WO-2006099972-A1 ACETYLENYL-PYRAZOLO-PVRIMIDINE DERIVATIVES AS MGLUR2 ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2006-09-28 — — WO claimed
US-8063048-B2 Acetylenyl-pyrazolo-pyrimidine derivatives HOFFMANN-LA ROCHE INC. (US) 2011-11-22 — — US disclosed
CN-101180299-B Ethynyl-pyrazolopyrimidine derivatives as MGLUR2 antagonists HOFFMANN LA ROCHE 2010-12-15 — — CN disclosed
US-20100210642-A1 ACETYLENYL-PYRAZOLO-PYRIMIDINE DERIVATIVES GATTI MCARTHUR SILVIA 2010-08-19 — — US disclosed
US-7718661-B2 Acetylenyl-pyrazolo-pyrimidine derivatives HOFFMANN-LA ROCHE INC. (US) 2010-05-18 — — US disclosed
EP-1863818-B1 ACETYLENYL-PYRAZOLO-PVRIMIDINE DERIVATIVES AS MGLUR2 ANTAGONISTS HOFFMANN LA ROCHE (CH) 2010-03-10 — — EP disclosed
US-20080300250-A1 ACETYLENYL-PYRAZOLO-PYRIMIDINE DERIVATIVES GATTI MCARTHUR SILVIA 2008-12-04 — — US disclosed
CN-101180299-A Ethynyl-pyrazolopyrimidine derivatives as MGLUR2 antagonists HOFFMANN LA ROCHE (CH) 2008-05-14 — — CN disclosed
EP-1863818-A1 ACETYLENYL-PYRAZOLO-PVRIMIDINE DERIVATIVES AS MGLUR2 ANTAGONISTS F.HOFFMANN-LA ROCHE AG (CH) 2007-12-12 — — EP disclosed
US-20070167460-A1 Acetylenyl-pyrazolo-pyrimidine derivatives MCARTHUR SILVIA G 2007-07-19 — — US disclosed
US-7238808-B2 Acetylenyl-pyrazolo-pyrimidine derivatives HOFFMANN-LA ROCHE INC. (US) 2007-07-03 — — US disclosed
US-20060217387-A1 Acetylenyl-pyrazolo-pyrimidine derivatives F. HOFFMANN-LA ROCHE AG, A SWISS COMPANY (CH) 2006-09-28 — — US disclosed
WO-2006099972-A1 ACETYLENYL-PYRAZOLO-PVRIMIDINE DERIVATIVES AS MGLUR2 ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2006-09-28 — — WO 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 (4 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-20100210642-A1 ACETYLENYL-PYRAZOLO-PYRIMIDINE DERIVATIVES NAT1, TPMT, ACAT1 HPGD 347/4885CYP2C9 102/4885CYP2C19 114/4885
US-20080300250-A1 ACETYLENYL-PYRAZOLO-PYRIMIDINE DERIVATIVES NAT1, TPMT, ACAT1 HPGD 347/4885CYP2C9 102/4885CYP2C19 114/4885
US-20060217387-A1 Acetylenyl-pyrazolo-pyrimidine derivatives NAT1, TPMT, ACAT1 HPGD 347/4885CYP2C9 102/4885CYP2C19 114/4885
US-20070167460-A1 Acetylenyl-pyrazolo-pyrimidine derivatives NAT1, ADORA2B, TPMT HPGD 253/4885CYP2C9 115/4885CYP2C19 118/4885

“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.