SCHEMBL1773292

SCHEMBL1773292

N#CCC1CCN(C(=O)O)CC1

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 7/20 0.33
TYK2 P29597 7/20 0.33
JAK3 P52333 7/20 0.33
JAK1 P23458 6/20 0.33
SPR P35270 1/20 0.33
MGLL Q99685 1/20 0.32
TACR3 P29371 1/20 0.32
ITGB3 P05106 2/20 0.31
ITGA2B P08514 2/20 0.31
CTSB P07858 1/20 0.31
CTSS P25774 1/20 0.31
CTSK P43235 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31

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
SCHEMBL1773011 0.93 CTSK (0.34) JAK2TYK2JAK3JAK1SPR
SCHEMBL15608004 0.89 TACR3 (0.36) JAK2TYK2JAK3JAK1SPR
SCHEMBL13738872 0.89 TACR3 (0.36) JAK2TYK2JAK3JAK1SPR
SCHEMBL13738996 0.89 TACR3 (0.36) JAK2TYK2JAK3JAK1SPR
SCHEMBL3720967 0.82 JAK2 (0.33) JAK2TYK2JAK3JAK1SPR
SCHEMBL18711854 0.82 JAK2 (0.43) JAK2TYK2JAK3JAK1
SCHEMBL28077869 0.81 HSD11B1 (0.31) JAK2JAK1
SCHEMBL1772783 0.81 ITGB3 (0.36) ITGB3ITGA2BMEN1KMT2A
Hydrochloric Acid SCHEMBL6195337 0.81 JAK2 (0.32) JAK2TYK2JAK3JAK1SPR
SCHEMBL1581772 0.80 ITGB3 (0.34) TACR3ITGB3ITGA2BMEN1KMT2A

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 38 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2758051-A1 CYANOMETHYLPYRAZOLE CARBOXAMIDES AS JANUS KINASE INHIBITORS Merck Sharp & Dohme Corp. (US) 2014-07-30 EP claimed
WO-2013043962-A1 CYANOMETHYLPYRAZOLE CARBOXAMIDES AS JANUS KINASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2013-03-28 WO claimed
US-7317007-B2 Benzothiazole derivatives with activity as adenosine receptor ligands HOFFMANN-LA ROCHE INC. (US) 2008-01-08 US claimed
US-20060003986-A1 Benzothiazole derivatives with activity as adenosine receptor ligands ALANINE ALEXANDER 2006-01-05 US claimed
CN-107148420-A Benzyl substituted indazoles 拜耳制药股份公司 2017-09-08 CN disclosed
EP-2492266-B1 5-HYDROXYPYRIMIDINE-4-CARBOXAMIDE DERIVATIVE DAIICHI SANKYO CO LTD (JP) 2015-08-26 EP disclosed
EP-2758051-A1 CYANOMETHYLPYRAZOLE CARBOXAMIDES AS JANUS KINASE INHIBITORS Merck Sharp & Dohme Corp. (US) 2014-07-30 EP disclosed
US-8785462-B2 5-hydroxypyrimidine-4-carboxamide derivative DAIICHI SANKYO COMPANY, LIMITED (JP) 2014-07-22 US disclosed
US-8765771-B2 Condensed pyridine or condensed pyrimidine derivative, and medicinal agent comprising same KOWA CO., LTD. (JP) 2014-07-01 US disclosed
EP-2586781-A1 NOVEL CONDENSED PYRIDINE OR CONDENSED PYRIMIDINE DERIVATIVE, AND MEDICINAL AGENT COMPRISING SAME KOWA CO. LTD. (JP) 2013-05-01 EP disclosed
US-20130102621-A1 NOVEL CONDENSED PYRIDINE OR CONDENSED PYRIMIDINE DERIVATIVE, AND MEDICINAL AGENT COMPRISING SAME KOWA CO., LTD. (JP) 2013-04-25 US disclosed
WO-2013043962-A1 CYANOMETHYLPYRAZOLE CARBOXAMIDES AS JANUS KINASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2013-03-28 WO disclosed
EP-1303272-A2 BENZOTHIAZOLE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2003-04-23 EP disclosed
US-6521754-B2 Such as N-4-methoxy-7-morpholin-4-yl-benzothiazol-2-yl)-2-methyl-isoni cotinamide HOFFMAN-LA ROCHE INC. 2003-02-18 US disclosed
US-20020045615-A1 Benzothiazole derivatives with activity as adenosine receptor ligands F.HOFFMANN-LA ROCHE AG (CH) 2002-04-18 US disclosed
US-6355655-B1 TREATING A COGNITIVE DISORDER, A NEURO-DEGENERATIVE DISORDER; AGE-RELATED DEMENTIA; AGE-INDUCED MEMORY IMPAIRMENT; A MOVEMENT DISORDER, ATTENTION DEFICIT DISORDER; ATTENTION DEFICIT HYPERACTIVITY DISORDER; PSYCHOSIS; COGNITIVE DEFICITS ELI LILLY AND COMPANY 2002-03-12 US disclosed
WO-2001097786-A2 BENZOTHIAZOLE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2001-12-27 WO disclosed
EP-1100498-A4 HETEROCYCLIC SULPHONAMIDE DERIVATIVES LILLY CO ELI (US) 2001-10-24 EP disclosed
EP-1100498-A1 HETEROCYCLIC SULPHONAMIDE DERIVATIVES Eli Lilly & Company (US) 2001-05-23 EP disclosed
WO-2000006159-A1 HETEROCYCLIC SULPHONAMIDE DERIVATIVES ELI LILLY AND COMPANY (US) 2000-02-10 WO 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 (3 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-20060003986-A1 Benzothiazole derivatives with activity as adenosine receptor ligands ADORA2A, ADORA1, ADORA3 JAK2 908/4885TYK2 2879/4885JAK3 2422/4885
US-20130102621-A1 NOVEL CONDENSED PYRIDINE OR CONDENSED PYRIMIDINE DERIVATIVE, AND MEDICINAL AGENT COMPRISING SAME IAPP, GPR119, RNASE1 JAK2 365/4885TYK2 3587/4885JAK3 1335/4885
US-20020045615-A1 Benzothiazole derivatives with activity as adenosine receptor ligands ADORA2A, ADORA1, ADORA3 JAK2 908/4885TYK2 2879/4885JAK3 2422/4885

“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.