SCHEMBL613186

SCHEMBL613186

COC(=O)c1sc(-c2ccncc2)cc1N

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 12/20 0.70
KDM4E B2RXH2 11/20 0.70
NPC1 O15118 6/20 0.70
RAB9A P51151 6/20 0.70
IKBKB O14920 5/20 0.70
CASP3 P42574 2/20 0.70
SENP8 Q96LD8 2/20 0.70
SENP7 Q9BQF6 2/20 0.70
SENP6 Q9GZR1 2/20 0.70
CDC7 O00311 1/20 0.68
DBF4 Q9UBU7 1/20 0.68
ALDH1A1 P00352 8/20 0.54
MEN1 O00255 6/20 0.54
KMT2A Q03164 6/20 0.54
HPGD P15428 4/20 0.54
HSD17B10 Q99714 3/20 0.54
TP53 P04637 1/20 0.54
SMN1; SMN2 Q16637 3/20 0.53
CYP1A2 P05177 3/20 0.51
CYP2C9 P11712 3/20 0.51

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
SCHEMBL10070140 0.85 MAPT (0.78) MAPTKDM4ENPC1RAB9AIKBKB
SCHEMBL431794 0.85 MAPT (0.74) MAPTKDM4ENPC1RAB9AIKBKB
SCHEMBL5196243 0.85 KDM4E (0.61) MAPTKDM4ENPC1RAB9AIKBKB
SCHEMBL3254787 0.85 MAPT (0.76) MAPTKDM4ENPC1RAB9AIKBKB
Hydrochloric Acid SCHEMBL8864118 0.84 MAPT (0.72) MAPTKDM4ENPC1RAB9AIKBKB
SCHEMBL5370617 0.84 MAPT (0.76) MAPTKDM4ENPC1RAB9AIKBKB
SCHEMBL5195941 0.84 KDM4E (0.76) MAPTKDM4ENPC1RAB9AIKBKB
SCHEMBL613270 0.82 KDM4E (0.57) MAPTKDM4ENPC1RAB9AIKBKB
SCHEMBL1531346 0.82 MAPT (1.00) MAPTKDM4ENPC1RAB9AIKBKB
SCHEMBL27029284 0.82 CDC7 (0.49) MAPTKDM4ENPC1RAB9AIKBKB

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2403857-B1 THIENOPYRIMIDINE AS CDC7 KINASE INHIBITORS TAKEDA PHARMACEUTICAL (JP) 2013-12-04 EP disclosed
US-20120040981-A1 THIENOPYRIMIDINE AS CDC7 KINASE INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-02-16 US disclosed
EP-2403857-A1 THIENOPYRIMIDINE AS CDC7 KINASE INHIBITORS Takeda Pharmaceutical Company Limited (JP) 2012-01-11 EP disclosed
WO-2010101302-A1 THIENOPYRIMIDINE AS CDC7 KINASE INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-09-10 WO disclosed
CN-101098852-A Glycogen phosphorylase inhibitor compounds and pharmaceutical compositions thereof SMITHKLINE BEECHAM CORP (US) 2008-01-02 CN disclosed
US-20070249670-A1 Glycogen Phosphorylase Inhibitor Compounds and Pharmaceutical Compositions Thereof SMITHKLINE BEECHAM CORPORATION (US) 2007-10-25 US disclosed
EP-1812383-A1 GLYCOGEN PHOSPHORYLASE INHIBITOR COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS THEREOF Smithkline Beecham Corporation (US) 2007-08-01 EP disclosed
WO-2006052722-A1 GLYCOGEN PHOSPHORYLASE INHIBITOR COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS THEREOF SMITHKLINE BEECHAM CORPORATION (US) 2006-05-18 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 (2 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-20120040981-A1 THIENOPYRIMIDINE AS CDC7 KINASE INHIBITORS CDC7, CDK7, DTYMK MAPT 2979/4885KDM4E 1319/4885NPC1 2455/4885
US-20070249670-A1 Glycogen Phosphorylase Inhibitor Compounds and Pharmaceutical Compositions Thereof PYGM, PYGL, GYS1 MAPT 1171/4885KDM4E 1970/4885NPC1 1701/4885

“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.