SCHEMBL1256335

SCHEMBL1256335

COc1cc(C(=O)Nc2nc(-c3ccco3)c(-c3ccncc3)s2)ccn1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 7/20 0.55
ADORA3 P0DMS8 9/20 0.53
ADORA1 P30542 7/20 0.53
ADORA2B P29275 4/20 0.53
ADORA2A P29274 3/20 0.53
USP2 O75604 2/20 0.52
HSP90AA1 P07900 1/20 0.51
CHRM5 P08912 1/20 0.51
HTR2A P28223 1/20 0.51
HTR2C P28335 1/20 0.51
PLA2G1B P04054 1/20 0.48
ATG4B Q9Y4P1 1/20 0.48
DRD4 P21917 1/20 0.47
TSPO P30536 1/20 0.47
DRD3 P35462 1/20 0.47
TMEM97 Q5BJF2 1/20 0.47
ATM Q13315 1/20 0.47
HPGD P15428 2/20 0.46
NPC1 O15118 1/20 0.46
XBP1 P17861 1/20 0.46

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
SCHEMBL1255544 0.89 NOX1 (0.51) L3MBTL1ADORA3ADORA1ADORA2BADORA2A
SCHEMBL1257139 0.88 ADORA1 (0.52) L3MBTL1ADORA3ADORA1ADORA2AUSP2
SCHEMBL1255995 0.87 ADORA1 (0.64) L3MBTL1ADORA3ADORA1ADORA2BADORA2A
SCHEMBL1255424 0.87 SMN1; SMN2 (0.61) L3MBTL1ADORA3ADORA1ADORA2BADORA2A
SCHEMBL1254654 0.83 L3MBTL1 (0.57) L3MBTL1ADORA3ADORA1ADORA2BADORA2A
SCHEMBL1255437 0.83 ADORA2A (0.68) L3MBTL1ADORA3ADORA1ADORA2BADORA2A
SCHEMBL1256234 0.83 ADORA2A (0.68) L3MBTL1ADORA3ADORA1ADORA2BADORA2A
SCHEMBL1255326 0.82 L3MBTL1 (0.47) L3MBTL1ADORA3ADORA1ADORA2BADORA2A
SCHEMBL1256703 0.81 ADORA1 (0.63) L3MBTL1ADORA3ADORA1ADORA2BADORA2A
SCHEMBL1254039 0.81 ADORA3 (0.67) L3MBTL1ADORA3ADORA1ADORA2BADORA2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-8420827-B2 Thiazole derivatives KYOWA HAKKO KIRIN CO., LTD. (JP) 2013-04-16 US disclosed
US-20110105486-A1 THIAZOLE DERIVATIVES KYOWA HAKKO KIRIN CO., LTD. (JP) 2011-05-05 US disclosed
US-7880013-B2 Thiazole derivatives KYOWA HAKKO KIRIN CO., LTD. (JP) 2011-02-01 US disclosed
US-20100256361-A1 THIAZOLE DERIVATIVES KYOWA HAKKO KIRIN CO., LTD. (JP) 2010-10-07 US disclosed
US-7718808-B2 Thiazole derivatives KYOWA HAKKO KIRIN CO., LTD. (JP) 2010-05-18 US disclosed
US-20070105919-A1 adenosine A2A receptor antagonists; N-[4-(2-Furyl)-5-(4-pyridyl)thiazol-2-yl]pyridine-4-carboxamide; treatment of Parkinson's disease, Alzheimer's disease, progressive supranuclear palsy, AIDS encephalopathy, nerve system disorders KYOWA HAKKO KOGYO CO., LTD. (JP) 2007-05-10 US 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 (4 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 L3MBTL1 436/4885ADORA3 394/4885ADORA1 954/4885
US-20110105486-A1 THIAZOLE DERIVATIVES CHD8, CYP2C8, THRA L3MBTL1 702/4885ADORA3 307/4885ADORA1 720/4885
US-20100256361-A1 THIAZOLE DERIVATIVES ADORA2A, ADORA3, ADORA1 L3MBTL1 2618/4885ADORA3 2/4885ADORA1 3/4885
US-20070105919-A1 adenosine A2A receptor antagonists; N-[4-(2-Furyl)-5-(4-pyridyl)thiazol-2-yl]pyridine-4-carboxamide; treatment of Parkinson's disease, Alzheimer's disease, progressive supranuclear palsy, AIDS encephalopathy, nerve system disorders ADORA2A, ADORA3, ADORA1 L3MBTL1 2473/4885ADORA3 2/4885ADORA1 3/4885

“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.