SCHEMBL3650445

SCHEMBL3650445

OCc1cccc(-c2ncc(O)cn2)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKCI P41743 1/20 0.51
FYN P06241 7/20 0.47
CDK8 P49336 1/20 0.47
CNR2 P34972 1/20 0.44
ACMSD Q8TDX5 1/20 0.44
CHRNB4 P30926 1/20 0.44
CHRNA3 P32297 1/20 0.44
CHRNA7 P36544 1/20 0.44
HTR1A P08908 1/20 0.43
GPR68 Q15743 1/20 0.43
FGFR1 P11362 1/20 0.43
HSD17B1 P14061 2/20 0.43
HSD17B2 P37059 2/20 0.43
S1PR1 P21453 1/20 0.42
S1PR3 Q99500 1/20 0.42
ADORA3 P0DMS8 1/20 0.42
ADORA2A P29274 1/20 0.42
ADORA1 P30542 1/20 0.42
PRSS1 P07477 1/20 0.41
PRSS2 P07478 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
SCHEMBL3650131 0.84 PRKCI (0.50) PRKCIFYNCDK8CHRNB4CHRNA3
SCHEMBL13285567 0.84 PRKCI (0.50) PRKCIFYNCDK8CNR2CHRNB4
SCHEMBL1301002 0.84 PRKCI (0.50) PRKCIFYNCDK8CNR2ACMSD
SCHEMBL31500185 0.84 PRKCI (0.50) PRKCIFYNCDK8CHRNB4CHRNA3
SCHEMBL1581550 0.84 PRKCI (0.50) PRKCIFYNCDK8CHRNB4CHRNA3
SCHEMBL2130914 0.83 PRKCI (0.61) PRKCIFYNCDK8CNR2ACMSD
SCHEMBL2540857 0.81 ACMSD (0.51) PRKCIFYNCDK8CNR2ACMSD
SCHEMBL22310395 0.80 FYN (0.51) PRKCIFYNCDK8S1PR1S1PR3
SCHEMBL22309842 0.79 S1PR1 (0.52) PRKCIFYNCDK8S1PR1S1PR3
SCHEMBL27813877 0.79 PRKCI (0.51) PRKCIFYNCDK8CNR2ACMSD

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 7 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
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-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

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 749/4885FYN 342/4885CDK8 311/4885

“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.