SCHEMBL3650131

SCHEMBL3650131

Nc1cnc(-c2cccc(CO)c2)nc1

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PRKCI P41743 1/20 0.50
HTR1A P08908 1/20 0.49
GPR68 Q15743 1/20 0.49
ADORA3 P0DMS8 1/20 0.47
ADORA2A P29274 1/20 0.47
ADORA1 P30542 1/20 0.47
FYN P06241 7/20 0.46
CDK8 P49336 1/20 0.46
PRSS1 P07477 1/20 0.43
PRSS2 P07478 1/20 0.43
PRSS3 P35030 1/20 0.43
ATR Q13535 1/20 0.43
CHRNB4 P30926 1/20 0.43
CHRNA3 P32297 1/20 0.43
CHRNA7 P36544 1/20 0.43
LIMK1 P53667 1/20 0.42
PI4K2A Q9BTU6 1/20 0.41
S1PR1 P21453 1/20 0.41
S1PR3 Q99500 1/20 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
SCHEMBL3650445 0.84 PRKCI (0.51) PRKCIHTR1AGPR68ADORA3ADORA2A
SCHEMBL31500185 0.83 PRKCI (0.50) PRKCIHTR1AGPR68ADORA3ADORA2A
SCHEMBL1301002 0.83 PRKCI (0.50) PRKCIHTR1AGPR68ADORA3ADORA2A
SCHEMBL1581550 0.83 PRKCI (0.50) PRKCIHTR1AGPR68FYNCDK8
SCHEMBL13285567 0.83 PRKCI (0.50) PRKCIHTR1AGPR68ADORA3ADORA2A
SCHEMBL2130914 0.82 PRKCI (0.61) PRKCIHTR1AGPR68ADORA3ADORA2A
SCHEMBL2540857 0.80 ACMSD (0.51) PRKCIHTR1AGPR68FYNCDK8
SCHEMBL22310395 0.79 FYN (0.51) PRKCIFYNCDK8S1PR1S1PR3
SCHEMBL22309842 0.78 S1PR1 (0.52) PRKCIFYNCDK8S1PR1S1PR3
SCHEMBL21537534 0.77 MAP4K4 (0.59)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2181111-B1 THIADIAZINONE DERIVATIVES MERCK PATENT GMBH (DE) 2013-06-26 EP disclosed
EP-2181111-B1 THIADIAZINONE DERIVATIVES MERCK PATENT GMBH (DE) 2013-06-26 EP disclosed
CN-101784544-B Thiadiazinone derivatives MERCK PATENT GMBH 2012-08-29 CN disclosed
US-8211886-B2 Thiadiazinone derivatives MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2012-07-03 US disclosed
US-8211886-B2 Thiadiazinone derivatives MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2012-07-03 US disclosed
US-8211886-B2 Thiadiazinone derivatives MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2012-07-03 US disclosed
US-20100311733-A1 THIADIAZINONE DERIVATIVES MERCK PATENT GESELLSCHAFT MIT ESCHRANKTER HAFTUNG (DE) 2010-12-09 US disclosed
US-20100311733-A1 THIADIAZINONE DERIVATIVES MERCK PATENT GESELLSCHAFT MIT ESCHRANKTER HAFTUNG (DE) 2010-12-09 US disclosed
US-20100311733-A1 THIADIAZINONE DERIVATIVES MERCK PATENT GESELLSCHAFT MIT ESCHRANKTER HAFTUNG (DE) 2010-12-09 US disclosed
CN-101784544-A thiadiazinone derivatives MERCK PATENT GMBH 2010-07-21 CN disclosed
EP-2181111-A1 THIADIAZINONE DERIVATIVES Merck Patent GmbH (DE) 2010-05-05 EP disclosed
WO-2009030333-A1 THIADIAZINONE DERIVATIVES MERCK PATENT GMBH (DE) 2009-03-12 WO disclosed
WO-2009030333-A1 THIADIAZINONE DERIVATIVES MERCK PATENT GMBH (DE) 2009-03-12 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 (1 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-20100311733-A1 THIADIAZINONE DERIVATIVES MET, ABL1, RET PRKCI 749/4885HTR1A 407/4885GPR68 2944/4885

“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.