SCHEMBL1256102

SCHEMBL1256102

Nc1nc(-c2ccco2)c(-c2ccc(=O)n(Cc3ccccc3)c2)s1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.52
HSD17B10 Q99714 2/20 0.52
PKM P14618 2/20 0.52
MAPT P10636 2/20 0.52
MEN1 O00255 1/20 0.52
POLB P06746 1/20 0.52
ALOX15 P16050 1/20 0.52
CASP1 P29466 1/20 0.52
BLM P54132 1/20 0.52
CASP7 P55210 1/20 0.52
KMT2A Q03164 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
ADORA2A P29274 9/20 0.45
ADORA1 P30542 5/20 0.45
MKNK1 Q9BUB5 2/20 0.43
MKNK2 Q9HBH9 2/20 0.43
BRD4 O60885 1/20 0.43
FBP1 P09467 3/20 0.41
ADORA2B P29275 3/20 0.41
ADORA3 P0DMS8 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
SCHEMBL1255469 0.86 ALDH1A1 (0.55) ALDH1A1HSD17B10PKMMAPTMEN1
SCHEMBL1254076 0.84 HSD17B10 (0.51) ALDH1A1HSD17B10PKMMAPTMEN1
SCHEMBL1256352 0.82 ADORA2A (0.48) ADORA2AADORA1BRD4ADORA3TSHR
SCHEMBL1256165 0.80 ADORA2B (0.60) ALDH1A1HSD17B10PKMMAPTMEN1
SCHEMBL1553798 0.78 ADORA2A (0.67) HSD17B10ADORA2AADORA1MKNK1MKNK2
SCHEMBL1254664 0.78 ADORA2A (0.53) ALDH1A1HSD17B10PKMMAPTMEN1
SCHEMBL1257192 0.77 ALDH1A1 (0.77) ALDH1A1HSD17B10PKMMAPTMEN1
SCHEMBL3841739 0.75 MKNK1 (0.43) ALDH1A1HSD17B10MAPTMEN1CASP1
SCHEMBL1255800 0.73 ADORA2A (0.50) ADORA2AADORA1TSHR
SCHEMBL28642979 0.73 ALDH1A1 (0.56) ALDH1A1HSD17B10PKMMAPTMEN1

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 ALDH1A1 1344/4885HSD17B10 1210/4885PKM 2052/4885
US-20110105486-A1 THIAZOLE DERIVATIVES CHD8, CYP2C8, THRA ALDH1A1 769/4885HSD17B10 925/4885PKM 3435/4885
US-20100256361-A1 THIAZOLE DERIVATIVES ADORA2A, ADORA3, ADORA1 ALDH1A1 1290/4885HSD17B10 2423/4885PKM 3484/4885
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 ALDH1A1 2843/4885HSD17B10 3869/4885PKM 2352/4885

“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.