SCHEMBL7404124

SCHEMBL7404124

O=C1NCC(=S)Nc2ccccc21

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.55
CA9 Q16790 1/20 0.55
LRRK2 Q5S007 3/20 0.52
DYRK1B Q9Y463 2/20 0.52
LTK P29376 2/20 0.52
PDGFRA P16234 1/20 0.52
FER P16591 1/20 0.52
CDK8 P49336 1/20 0.52
ACVR1 Q04771 1/20 0.52
MAOA P21397 1/20 0.47
MAOB P27338 1/20 0.47
PARP1 P09874 2/20 0.43
PDE7A Q13946 1/20 0.43
PDE7B Q9NP56 1/20 0.43
PDPK1 O15530 1/20 0.43
PARP10 Q53GL7 1/20 0.43
PARP11 Q9NR21 1/20 0.43
KDM4E B2RXH2 3/20 0.41
MAPT P10636 2/20 0.41
MAPK1 P28482 2/20 0.41

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
SCHEMBL30336371 0.81 LRRK2 (0.55) CA12CA9LRRK2DYRK1BLTK
SCHEMBL2449133 0.81 LRRK2 (0.55) CA12CA9LRRK2DYRK1BLTK
SCHEMBL4294892 0.76 MEN1 (0.50) LRRK2DYRK1BLTKPDGFRAFER
SCHEMBL366728 0.73
SCHEMBL2420711 0.73 LRRK2 (0.90) LRRK2DYRK1BLTKPDGFRAFER
SCHEMBL16962995 0.72 LRRK2 (0.44) LRRK2DYRK1BLTKPDGFRAFER
SCHEMBL29355184 0.71 CA12 (1.00) CA12CA9LRRK2DYRK1BMAOA
SCHEMBL4818277 0.71 CA12 (1.00) CA12CA9LRRK2DYRK1BMAOA
SCHEMBL14896 0.71 CA12 (1.00) CA12CA9LRRK2DYRK1BMAOA
SCHEMBL8213864 0.70 CA12 (0.95) CA12CA9LRRK2DYRK1BMAOA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2650274-B1 A thionation process and a thionating agent VIRONOVA THIONATION AB (SE) 2019-05-01 EP disclosed
US-9221855-B2 Thionation process and a thionating agent VIRONOVA THIONATION AB (SE) 2015-12-29 US disclosed
US-9221855-B2 Thionation process and a thionating agent VIRONOVA THIONATION AB (SE) 2015-12-29 US disclosed
US-9115158-B2 Thionating agent VIRONOVA THIONATION AB (SE) 2015-08-25 US disclosed
US-9115158-B2 Thionating agent VIRONOVA THIONATION AB (SE) 2015-08-25 US disclosed
US-20130303767-A1 THIONATING AGENT VIRONOVA THIONATION AB (SE) 2013-11-14 US disclosed
US-20130303767-A1 THIONATING AGENT VIRONOVA THIONATION AB (SE) 2013-11-14 US disclosed
EP-2569263-B1 A THIONATION PROCESS AND A THIONATING AGENT VIRONOVA AB (SE) 2013-11-13 EP disclosed
EP-2650274-A2 A thionation process and a thionating agent Vironova AB (SE) 2013-10-16 EP disclosed
US-20130102774-A1 THIONATION PROCESS AND A THIONATING AGENT VIRONOVA AB (SE) 2013-04-25 US disclosed
US-20130102774-A1 THIONATION PROCESS AND A THIONATING AGENT VIRONOVA AB (SE) 2013-04-25 US disclosed
WO-2012104415-A1 A THIONATION PROCESS AND A THIONATING AGENT VIRONOVA AB (SE) 2012-08-09 WO disclosed
EP-2484655-A1 A thionation process and a thionating agent Vironova AB (SE) 2012-08-08 EP disclosed
US-5716951-A PLATELET AGGREGATION INHIBITORS GENENTECH, INC. (US) 1998-02-10 US disclosed
US-5705890-A PLATELET AGGREGATION INHIBITOR, ANTITHROMBOTIC GENENTECH, INC. (US) 1998-01-06 US disclosed
EP-0708775-B1 TRICYCLIC INHIBITORS OF THE GPII b III a RECEPTOR GENENTECH INC (US) 1997-05-28 EP disclosed
EP-0708775-A1 TRICYCLIC INHIBITORS OF THE GPII b III a RECEPTOR GENENTECH INC (US) 1996-05-01 EP disclosed
US-5493020-A ANTICOAGULANTS GENENTECH, INC. (US) 1996-02-20 US disclosed
WO-1995004057-A1 TRICYCLIC INHIBITORS OF THE GPIIbIIIa RECEPTOR GENENTECH, INC. (US) 1995-02-09 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-20130102774-A1 THIONATION PROCESS AND A THIONATING AGENT NT5M, NT5E, NUDT5 CA12 1993/4885CA9 1286/4885LRRK2 965/4885
US-20130303767-A1 THIONATING AGENT NT5E, NT5C2, NUDT5 CA12 2178/4885CA9 1341/4885LRRK2 1054/4885

“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.