SCHEMBL3401657

SCHEMBL3401657

COC(=O)c1sc(SC)c(C#N)c1N

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIA4 P48058 2/20 0.45
ALDH1A1 P00352 9/20 0.43
KDM4E B2RXH2 6/20 0.43
MAPT P10636 4/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
RXFP1 Q9HBX9 1/20 0.43
GRIA2 P42262 1/20 0.42
HPGD P15428 6/20 0.41
GAA P10253 5/20 0.41
KMT2A Q03164 3/20 0.41
HSD17B10 Q99714 3/20 0.41
MEN1 O00255 2/20 0.41
GLA P06280 2/20 0.41
ALOX15 P16050 1/20 0.41
ATM Q13315 1/20 0.41
PLA2G1B P04054 1/20 0.40
ATG4B Q9Y4P1 1/20 0.40
NPSR1 Q6W5P4 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
MELK Q14680 1/20 0.39

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
SCHEMBL623739 0.85 L3MBTL1 (0.53) ALDH1A1KDM4ERXFP1HPGDKMT2A
SCHEMBL9864594 0.84 GRIA4 (0.47) GRIA4ALDH1A1KDM4EMAPTRXFP1
SCHEMBL3818516 0.84 GRIA4 (0.57) GRIA4ALDH1A1KDM4EMAPTRXFP1
SCHEMBL6644214 0.84 GRIA4 (0.47) GRIA4ALDH1A1KDM4EMAPTRXFP1
SCHEMBL10017671 0.83 GAA (0.48) GRIA4ALDH1A1KDM4EMAPTSMN1; SMN2
SCHEMBL9030558 0.82 KDM4E (0.46) ALDH1A1KDM4EMAPTSMN1; SMN2RXFP1
SCHEMBL3403380 0.81 GRIA4 (0.45) GRIA4ALDH1A1KDM4EMAPTRXFP1
SCHEMBL7815351 0.80 GRIA4 (0.50) GRIA4ALDH1A1MAPTRXFP1GRIA2
SCHEMBL7979698 0.79 ALDH1A1 (0.46) ALDH1A1KDM4EMAPTSMN1; SMN2RXFP1
SCHEMBL6790805 0.77 GRIA4 (0.46) GRIA4ALDH1A1KDM4EMAPTRXFP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2250160-B1 THIOPHENES AND THEIR USE AS PHOSPHATIDYLINOSITOL 3-KINASE (PI3K) INHIBITORS MILLENNIUM PHARM INC (US) 2015-11-11 EP disclosed
EP-2250160-B1 THIOPHENES AND THEIR USE AS PHOSPHATIDYLINOSITOL 3-KINASE (PI3K) INHIBITORS MILLENNIUM PHARM INC (US) 2015-11-11 EP disclosed
US-9029411-B2 Thiophenes and uses thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2015-05-12 US disclosed
US-9029411-B2 Thiophenes and uses thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2015-05-12 US disclosed
US-9029411-B2 Thiophenes and uses thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2015-05-12 US 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-2250160-A1 THIOPHENES AND THEIR USE AS PHOSPHATIDYLINOSITOL 3-KINASE (PI3K) INHIBITORS Millennium Pharmaceuticals, Inc. (US) 2010-11-17 EP disclosed
US-20090325925-A1 Thiophenes and uses thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2009-12-31 US disclosed
US-20090325925-A1 Thiophenes and uses thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2009-12-31 US disclosed
WO-2009094224-A1 THIOPHENES AND THEIR USE AS PHOSPHATIDYLINOSITOL 3-KINASE (PI3K) INHIBITORS MILLENNIUM PHARMACEUTICALS, INC. (US) 2009-07-30 WO disclosed
WO-2009094224-A1 THIOPHENES AND THEIR USE AS PHOSPHATIDYLINOSITOL 3-KINASE (PI3K) INHIBITORS MILLENNIUM PHARMACEUTICALS, INC. (US) 2009-07-30 WO disclosed
US-20090192178-A1 mGluR1 ANTAGONISTS AS THERAPEUTIC AGENTS SCHERING CORPORATION 2009-07-30 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-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
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-20090192178-A1 mGluR1 ANTAGONISTS AS THERAPEUTIC AGENTS GRM1, GRM4, GRIA1 GRIA4 5/4885ALDH1A1 1026/4885KDM4E 1129/4885
US-20090325925-A1 Thiophenes and uses thereof PIK3CA, JAK2, MTOR GRIA4 2350/4885ALDH1A1 1665/4885KDM4E 1172/4885
US-20060167029-A1 mGluR1 Antagonists as therapeutic agents GRM1, GRM4, GRIA1 GRIA4 5/4885ALDH1A1 1026/4885KDM4E 1129/4885
US-20090082336-A1 mGluR1 Antagonists as Therapeutic Agents GRM1, GRM4, GRIA1 GRIA4 5/4885ALDH1A1 1026/4885KDM4E 1129/4885

“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.