SCHEMBL1254076

SCHEMBL1254076

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

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 2/20 0.51
MEN1 O00255 1/20 0.51
ALDH1A1 P00352 1/20 0.51
POLB P06746 1/20 0.51
MAPT P10636 1/20 0.51
PKM P14618 1/20 0.51
ALOX15 P16050 1/20 0.51
CASP1 P29466 1/20 0.51
BLM P54132 1/20 0.51
CASP7 P55210 1/20 0.51
KMT2A Q03164 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
ADORA2A P29274 14/20 0.50
ADORA1 P30542 7/20 0.47
HDAC6 Q9UBN7 1/20 0.42
FBP1 P09467 1/20 0.41
CCNA2 P20248 1/20 0.40
CDK2 P24941 1/20 0.40
MAPK3 P27361 1/20 0.40
MAPK1 P28482 1/20 0.40

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
SCHEMBL1256374 0.86 ALDH1A1 (0.54) HSD17B10MEN1ALDH1A1POLBMAPT
SCHEMBL1256102 0.84 ALDH1A1 (0.52) HSD17B10MEN1ALDH1A1POLBMAPT
SCHEMBL1255800 0.82 ADORA2A (0.50) ADORA2AADORA1
SCHEMBL1256209 0.81 MAPT (0.58) HSD17B10MEN1ALDH1A1POLBMAPT
SCHEMBL3456049 0.79 ADORA2A (0.55) HSD17B10ADORA2AADORA1ADORA3ADORA2B
SCHEMBL1256237 0.79 ADORA2A (0.52) HSD17B10MEN1ALDH1A1POLBMAPT
SCHEMBL28761698 0.78 ADORA2A (0.50) HSD17B10MEN1ALDH1A1MAPTPKM
SCHEMBL1257192 0.76 ALDH1A1 (0.77) HSD17B10MEN1ALDH1A1POLBMAPT
SCHEMBL1256352 0.73 ADORA2A (0.48) ADORA2AADORA1ADORA3
SCHEMBL1254130 0.73 ADORA2A (0.57) HSD17B10MEN1ALDH1A1POLBMAPT

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 HSD17B10 1210/4885MEN1 1954/4885ALDH1A1 1344/4885
US-20110105486-A1 THIAZOLE DERIVATIVES CHD8, CYP2C8, THRA HSD17B10 925/4885MEN1 2780/4885ALDH1A1 769/4885
US-20100256361-A1 THIAZOLE DERIVATIVES ADORA2A, ADORA3, ADORA1 HSD17B10 2423/4885MEN1 3563/4885ALDH1A1 1290/4885
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 HSD17B10 3869/4885MEN1 3769/4885ALDH1A1 2843/4885

“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.