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SCHEMBL2827448

SCHEMBL2827448

O=S(=O)(O)c1ccc(C#Cc2cnn3c(C(F)F)cc(-c4ccc(C(F)(F)F)cc4)nc23)s1

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 1/20 0.40
▸ HPGD P15428 6/20 0.38
▸ TSHR P16473 5/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ MEN1 O00255 4/20 0.37
▸ KMT2A Q03164 4/20 0.37
▸ ALDH1A1 P00352 9/20 0.37
▸ KDM4E B2RXH2 5/20 0.37
▸ HSD17B10 Q99714 3/20 0.37
▸ TP53 P04637 3/20 0.37
▸ POLB P06746 2/20 0.37
▸ CASP1 P29466 2/20 0.37
▸ SMN1; SMN2 Q16637 2/20 0.37
▸ USP2 O75604 2/20 0.36
▸ NPSR1 Q6W5P4 2/20 0.36
▸ CASP7 P55210 1/20 0.36
▸ THRB P10828 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
SCHEMBL1348729 0.91 LMNA (0.38) LMNAHPGDTSHRL3MBTL1MEN1
SCHEMBL2825367 0.91 LMNA (0.40) LMNAHPGDTSHRL3MBTL1MEN1
SCHEMBL2828177 0.89 HPGD (0.43) LMNAHPGDTSHRL3MBTL1MEN1
SCHEMBL2829076 0.89 KDM4E (0.37) LMNAHPGDTSHRL3MBTL1ALDH1A1
SCHEMBL1347713 0.88 LMNA (0.43) LMNAHPGDTSHRL3MBTL1MEN1
SCHEMBL1349010 0.87 LMNA (0.36) LMNAHPGDTSHRL3MBTL1MEN1
SCHEMBL1348085 0.87 LMNA (0.38) LMNAHPGDTSHRL3MBTL1MEN1
SCHEMBL1348112 0.86 KMT2A (0.40) LMNAHPGDTSHRL3MBTL1MEN1
SCHEMBL1348014 0.86 LMNA (0.40) LMNAHPGDTSHRMEN1KMT2A
SCHEMBL1348654 0.85 HPGD (0.43) LMNAHPGDTSHRL3MBTL1MEN1

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
US-7718661-B2 Acetylenyl-pyrazolo-pyrimidine derivatives HOFFMANN-LA ROCHE INC. (US) 2010-05-18 — — US claimed
EP-1863818-B1 ACETYLENYL-PYRAZOLO-PVRIMIDINE DERIVATIVES AS MGLUR2 ANTAGONISTS HOFFMANN LA ROCHE (CH) 2010-03-10 — — EP claimed
US-20080300250-A1 ACETYLENYL-PYRAZOLO-PYRIMIDINE DERIVATIVES GATTI MCARTHUR SILVIA 2008-12-04 — — US 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-20070167460-A1 Acetylenyl-pyrazolo-pyrimidine derivatives MCARTHUR SILVIA G 2007-07-19 — — US 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
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 LMNA 2102/4885HPGD 347/4885TSHR 1237/4885
US-20080300250-A1 ACETYLENYL-PYRAZOLO-PYRIMIDINE DERIVATIVES NAT1, TPMT, ACAT1 LMNA 2102/4885HPGD 347/4885TSHR 1237/4885
US-20060217387-A1 Acetylenyl-pyrazolo-pyrimidine derivatives NAT1, TPMT, ACAT1 LMNA 2102/4885HPGD 347/4885TSHR 1237/4885
US-20070167460-A1 Acetylenyl-pyrazolo-pyrimidine derivatives NAT1, ADORA2B, TPMT LMNA 2458/4885HPGD 253/4885TSHR 1244/4885

“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.