SCHEMBL10196841

SCHEMBL10196841

CCn1nc(C)ccc1=O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.40
MAPT P10636 4/20 0.38
PTGS2 P35354 2/20 0.37
LMNA P02545 1/20 0.37
ALDH1A1 P00352 2/20 0.36
HTT P42858 1/20 0.36
MMP2 P08253 1/20 0.36
MMP3 P08254 1/20 0.36
KDM4E B2RXH2 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
HSD17B10 Q99714 1/20 0.36
HRH3 Q9Y5N1 1/20 0.36
ADORA2A P29274 2/20 0.35
ADORA2B P29275 2/20 0.35
TSHR P16473 1/20 0.35
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
BRD9 Q9H8M2 1/20 0.34
TP53 P04637 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34

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
SCHEMBL10044413 0.83 PTGS2 (0.53) PTGS2LMNAALDH1A1HTTKDM4E
SCHEMBL18102200 0.81 LMNA (0.36) MAPTPTGS2LMNAALDH1A1HTT
SCHEMBL11356386 0.81 PTGS2 (0.42) MAPTPTGS2LMNAALDH1A1HTT
SCHEMBL10044416 0.80 PTGS2 (0.43) PTGS2LMNAALDH1A1HSD17B10
SCHEMBL9362665 0.78 HRH3 (0.36) GAAMAPTPTGS2LMNAALDH1A1
SCHEMBL7926564 0.78 GAA (0.44) GAAPTGS2LMNAHTTMMP2
SCHEMBL9465765 0.78 PTGS2 (0.38) MAPTPTGS2LMNAALDH1A1HTT
SCHEMBL14074048 0.78 PTGS2 (0.38) MAPTPTGS2LMNAALDH1A1HTT
SCHEMBL14074024 0.78 SMN1; SMN2 (0.41) PTGS2LMNAALDH1A1MMP2MMP3
SCHEMBL14446918 0.78 LMNA (0.59) GAAMAPTLMNAALDH1A1HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2655357-B1 INDAZOLYL TRIAZOLE DERIVATIVES AS IRAK INHIBITORS MERCK SERONO SA (CH) 2016-06-22 EP disclosed
US-9216180-B2 Pharmaceutical compositions and treatment of genetic diseases associated with nonsense mediated RNA decay NEW YORK UNIVERSITY (US) 2015-12-22 US disclosed
US-9216180-B2 Pharmaceutical compositions and treatment of genetic diseases associated with nonsense mediated RNA decay NEW YORK UNIVERSITY (US) 2015-12-22 US 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
WO-2012084704-A1 INDAZOLYL TRIAZOLE DERIVATIVES AS IRAK INHIBITORS MERCK SERONO S.A. (CH) 2012-06-28 WO 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-20080221114-A1 2-(Cyclic Aminocarbonyl) Indoline Derivative and Medicinal Composition Containing the Same DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2008-09-11 US disclosed
US-20080221114-A1 2-(Cyclic Aminocarbonyl) Indoline Derivative and Medicinal Composition Containing the Same DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2008-09-11 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (5 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 GAA 2742/4885MAPT 1492/4885PTGS2 1832/4885
US-20110105486-A1 THIAZOLE DERIVATIVES CHD8, CYP2C8, THRA GAA 3946/4885MAPT 4205/4885PTGS2 1849/4885
US-20100256361-A1 THIAZOLE DERIVATIVES ADORA2A, ADORA3, ADORA1 GAA 3018/4885MAPT 4006/4885PTGS2 2268/4885
US-20080221114-A1 2-(Cyclic Aminocarbonyl) Indoline Derivative and Medicinal Composition Containing the Same CYP11B2, CYP11B1, GRIN2A GAA 3365/4885MAPT 549/4885PTGS2 1386/4885
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 GAA 3099/4885MAPT 476/4885PTGS2 1525/4885

“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.