SCHEMBL1256237

SCHEMBL1256237

O=C(Nc1nc(-c2ccco2)c(-c2ccn(Cc3ccccc3)c(=O)c2)s1)c1ccncc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 7/20 0.52
ADORA1 P30542 7/20 0.52
ADORA3 P0DMS8 6/20 0.52
ADORA2B P29275 2/20 0.52
L3MBTL1 Q9Y468 7/20 0.50
HSP90AA1 P07900 1/20 0.50
USP2 O75604 2/20 0.47
HPGD P15428 4/20 0.45
KDM4E B2RXH2 3/20 0.45
MEN1 O00255 3/20 0.45
ALDH1A1 P00352 3/20 0.45
MAPT P10636 3/20 0.45
KMT2A Q03164 3/20 0.45
HSD17B10 Q99714 1/20 0.45
POLB P06746 3/20 0.45
BLM P54132 2/20 0.45
LMNA P02545 1/20 0.45
PLA2G1B P04054 1/20 0.44
ATG4B Q9Y4P1 1/20 0.44
ATM Q13315 1/20 0.43

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
SCHEMBL1254130 0.92 ADORA2A (0.57) ADORA2AADORA1ADORA3ADORA2BL3MBTL1
SCHEMBL1255664 0.89 L3MBTL1 (0.51) ADORA2AADORA1ADORA3ADORA2BL3MBTL1
SCHEMBL1256307 0.89 ADORA2A (0.49) ADORA2AADORA1ADORA3ADORA2BL3MBTL1
SCHEMBL1254664 0.88 ADORA2A (0.53) ADORA2AADORA1ADORA3ADORA2BL3MBTL1
SCHEMBL1256711 0.85 L3MBTL1 (0.53) ADORA2AADORA1ADORA3ADORA2BL3MBTL1
SCHEMBL18936453 0.85 ADORA2A (0.49) ADORA2AADORA1ADORA3ADORA2BL3MBTL1
SCHEMBL1255437 0.82 ADORA2A (0.68) ADORA2AADORA1ADORA3ADORA2BL3MBTL1
SCHEMBL1256486 0.81 ADORA3 (0.50) ADORA2AADORA1ADORA3ADORA2BL3MBTL1
SCHEMBL1256234 0.80 ADORA2A (0.68) ADORA2AADORA1ADORA3ADORA2BL3MBTL1
SCHEMBL1255995 0.80 ADORA1 (0.64) ADORA2AADORA1ADORA3ADORA2BL3MBTL1

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 ADORA2A 450/4885ADORA1 954/4885ADORA3 394/4885
US-20110105486-A1 THIAZOLE DERIVATIVES CHD8, CYP2C8, THRA ADORA2A 392/4885ADORA1 720/4885ADORA3 307/4885
US-20100256361-A1 THIAZOLE DERIVATIVES ADORA2A, ADORA3, ADORA1 ADORA2A 1/4885ADORA1 3/4885ADORA3 2/4885
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 ADORA2A 1/4885ADORA1 3/4885ADORA3 2/4885

“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.