SCHEMBL4116375

SCHEMBL4116375

COC(=O)c1sc2nccnc2c1N

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.50
ALDH1A1 P00352 5/20 0.50
GLA P06280 2/20 0.48
GAA P10253 2/20 0.48
HPGD P15428 2/20 0.48
HSD17B10 Q99714 2/20 0.48
CASP1 P29466 1/20 0.48
HTT P42858 1/20 0.48
CASP7 P55210 1/20 0.48
NCOA1 Q15788 1/20 0.48
RCE1 Q9Y256 1/20 0.48
NCOA3 Q9Y6Q9 1/20 0.48
MAPT P10636 3/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
RXFP1 Q9HBX9 1/20 0.47
MEN1 O00255 1/20 0.45
ALOX15 P16050 1/20 0.45
KMT2A Q03164 1/20 0.45
ATM Q13315 1/20 0.45
POLB P06746 1/20 0.45

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
SCHEMBL1697873 0.83 KDM4E (0.54) KDM4EALDH1A1GLAGAAHPGD
SCHEMBL1698022 0.80 IKBKB (0.42) KDM4EALDH1A1HPGDHSD17B10HTT
SCHEMBL14302410 0.79 TP53 (0.42) KDM4EALDH1A1GAAHPGDHSD17B10
SCHEMBL21457814 0.79 KDM4E (0.63) KDM4EALDH1A1GLAGAAHPGD
SCHEMBL7847882 0.78 KDM4E (0.48) KDM4EALDH1A1GLAGAAHPGD
SCHEMBL9543622 0.78 ALDH1A1 (0.45) KDM4EALDH1A1HPGDHSD17B10HTT
SCHEMBL7536279 0.77 CISD2 (0.47) KDM4EALDH1A1GAAHPGDMAPT
SCHEMBL2896095 0.77 IKBKB (0.68) KDM4EALDH1A1GLAGAAHPGD
SCHEMBL843791 0.77 LIMK1 (0.68) KDM4EALDH1A1GLAGAAHPGD
SCHEMBL26026228 0.77 IKBKB (0.57) KDM4EALDH1A1GLAGAAHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230278978-A1 THIOPHENE HSD17B13 INHIBITORS AND USES THEREOF INIPHARM, INC. 2023-09-07 US disclosed
US-20230278978-A1 THIOPHENE HSD17B13 INHIBITORS AND USES THEREOF INIPHARM, INC. 2023-09-07 US disclosed
US-20230278978-A1 THIOPHENE HSD17B13 INHIBITORS AND USES THEREOF INIPHARM, INC. 2023-09-07 US disclosed
EP-4185381-A1 THIOPHENE HSD17B13 INHIBITORS AND USES THEREOF Inipharm, Inc. (US) 2023-05-31 EP disclosed
EP-3414251-B1 THIENOPYRAZINE CARBOXAMIDES AS UBIQUITIN-SPECIFIC PROTEASE INHIBITORS FORMA THERAPEUTICS INC (US) 2019-10-16 EP disclosed
US-7989464-B2 mGluR1 antagonists as therapeutic agents SCHERING CORPORATION (US) 2011-08-02 US disclosed
US-7989464-B2 mGluR1 antagonists as therapeutic agents SCHERING CORPORATION (US) 2011-08-02 US disclosed
EP-1966220-B1 MGLUR1 ANATGONISTS AS THERAPEUTIC AGENTS SCHERING CORP (US) 2011-01-26 EP disclosed
US-7598259-B2 mGluR1 antagonists as therapeutic agents SCHERING CORPORATION (US) 2009-10-06 US disclosed
US-7598259-B2 mGluR1 antagonists as therapeutic agents SCHERING CORPORATION (US) 2009-10-06 US disclosed
US-20090082336-A1 mGluR1 Antagonists as Therapeutic Agents SCHERING CORPORATION 2009-03-26 US disclosed
US-20090082336-A1 mGluR1 Antagonists as Therapeutic Agents SCHERING CORPORATION 2009-03-26 US disclosed
US-20090062258-A1 FUSED PYRIMIDINE DERIVATIVE AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-03-05 US disclosed
US-7485648-B2 mGluR1 antagonists as therapeutic agents SCHERING CORPORATION (US) 2009-02-03 US disclosed
US-7485648-B2 mGluR1 antagonists as therapeutic agents SCHERING CORPORATION (US) 2009-02-03 US disclosed
EP-1847541-A1 FUSED PYRIMIDINE DERIVATIVE AND USES THEREOF Takeda Pharmaceutical Company Limited (JP) 2007-10-24 EP disclosed
WO-2007070393-A2 MGLUR1 ANATGONISTS AS THERAPEUTIC AGENTS SCHERING CORPORATION (US) 2007-06-21 WO disclosed
US-20060167029-A1 mGluR1 Antagonists as therapeutic agents SCHERING CORPORATION 2006-07-27 US disclosed
US-20060167029-A1 mGluR1 Antagonists as therapeutic agents SCHERING CORPORATION 2006-07-27 US disclosed
WO-2006002051-A1 TRICYCLIC COMPOUNDS AND THEIR USE AS MGLUR1 ANTAGONISTS SCHERING CORPORATION (US) 2006-01-05 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-20060167029-A1 mGluR1 Antagonists as therapeutic agents GRM1, GRM4, GRIA1 KDM4E 1129/4885ALDH1A1 1026/4885GLA 2681/4885
US-20230278978-A1 THIOPHENE HSD17B13 INHIBITORS AND USES THEREOF HSD17B3, HSD17B1, HSD17B13 KDM4E 2966/4885ALDH1A1 237/4885GLA 3186/4885
US-20090062258-A1 FUSED PYRIMIDINE DERIVATIVE AND USE THEREOF GNRHR, FSHR, NPY4R KDM4E 1719/4885ALDH1A1 4008/4885GLA 4238/4885
US-20090082336-A1 mGluR1 Antagonists as Therapeutic Agents GRM1, GRM4, GRIA1 KDM4E 1129/4885ALDH1A1 1026/4885GLA 2681/4885

“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.