SCHEMBL1677417

SCHEMBL1677417

CCn1cc(C(=O)Nc2nc(-c3ccco3)c(C(=O)c3ccccc3)s2)ccc1=O

nearest known ligand 0.59

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 16/20 0.59
ADORA1 P30542 14/20 0.59
ADORA3 P0DMS8 7/20 0.53

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
SCHEMBL1254487 0.89 ADORA2A (0.48) ADORA2AADORA1ADORA3
SCHEMBL1255377 0.88 ADORA2A (0.62) ADORA2AADORA1ADORA3
SCHEMBL1256890 0.87 ADORA2A (0.52) ADORA2AADORA1ADORA3
SCHEMBL1256486 0.82 ADORA3 (0.50) ADORA2AADORA1ADORA3
SCHEMBL1256334 0.81 TSHR (0.47) ADORA2AADORA1
SCHEMBL14864249 0.80 ADORA2A (0.67) ADORA2AADORA1ADORA3
SCHEMBL1255387 0.79 L3MBTL1 (0.52) ADORA2AADORA1ADORA3
SCHEMBL1255640 0.78 ADORA2A (0.68) ADORA2AADORA1ADORA3
SCHEMBL1255443 0.78 ADORA2A (0.62) ADORA2AADORA1ADORA3
SCHEMBL1256392 0.78 ADORA2A (0.47) ADORA2AADORA1ADORA3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1921077-B1 AGENT FOR TREATING AND/OR PREVENTING SLEEP DISORDER KYOWA HAKKO KIRIN CO LTD (JP) 2017-07-26 EP disclosed
EP-3002283-B1 THIAZOLE DERIVATIVES KYOWA HAKKO KIRIN CO LTD (JP) 2017-06-14 EP disclosed
EP-3002283-A1 THIAZOLE DERIVATIVES Kyowa Hakko Kirin Co., Ltd. (JP) 2016-04-06 EP disclosed
EP-1700856-B1 THIAZOLE DERIVATIVE KYOWA HAKKO KIRIN CO LTD (JP) 2015-11-11 EP disclosed
US-8889718-B2 Thiazole derivatives KYOWA HAKKO KIRIN CO., LTD. (JP) 2014-11-18 US disclosed
US-20130267509-A1 THIAZOLE DERIVATIVES KYOWA HAKKO KIRIN CO., LTD. (JP) 2013-10-10 US disclosed
US-7928098-B2 Therapeutic and/or preventive agents for a sleep disorder KYOWA HAKKO KIRIN CO., LTD. (JP) 2011-04-19 US disclosed
US-20100152162-A1 THERAPEUTIC AND/OR PREVENTIVE AGENTS FOR A SLEEP DISORDER KYOWA HAKKO KIRIN CO., LTD. (JP) 2010-06-17 US disclosed
EP-1921077-A1 AGENT FOR TREATING AND/OR PREVENTING SLEEP DISORDER KYOWA HAKKO KOGYO CO., LTD. (JP) 2008-05-14 EP disclosed
EP-1700856-A1 THIAZOLE DERIVATIVE KYOWA HAKKO KOGYO CO., LTD. (JP) 2006-09-13 EP 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-20130267509-A1 THIAZOLE DERIVATIVES THRA, CHD8, CYP2C8 ADORA2A 450/4885ADORA1 954/4885ADORA3 394/4885
US-20100152162-A1 THERAPEUTIC AND/OR PREVENTIVE AGENTS FOR A SLEEP DISORDER HCRTR1, MTNR1A, HCRTR2 ADORA2A 525/4885ADORA1 353/4885ADORA3 547/4885

“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.