SCHEMBL2826271

SCHEMBL2826271

Cc1ncc[c]c1C(N)=O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MKNK1 Q9BUB5 1/20 0.39
MKNK2 Q9HBH9 1/20 0.39
P2RX7 Q99572 1/20 0.34
SIRT3 Q9NTG7 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
CCNC P24863 2/20 0.33
CDK8 P49336 2/20 0.33
TSHR P16473 3/20 0.32
ADORA3 P0DMS8 1/20 0.32
MC4R P32245 1/20 0.32
ADRA1A P35348 1/20 0.32
MC3R P41968 1/20 0.32
PIK3CB P42338 1/20 0.32
KDM4E B2RXH2 2/20 0.32
KMT2A Q03164 1/20 0.32
LMNA P02545 3/20 0.31
PAX8 Q06710 1/20 0.31
ALDH1A1 P00352 1/20 0.31
MMP9 P14780 1/20 0.31
SMN1; SMN2 Q16637 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
SCHEMBL6198008 0.81 KDM4E (0.36) P2RX7KDM4EKMT2ALMNA
SCHEMBL8078692 0.81 SMN1; SMN2 (0.35) P2RX7LMNAALDH1A1SMN1; SMN2
SCHEMBL3101639 0.79 NAPRT (0.34) TSHRADORA3MC4RADRA1AMC3R
SCHEMBL4324262 0.79 MKNK1 (0.36) MKNK1MKNK2TSHRADORA3MC4R
SCHEMBL3379743 0.79 ADORA3 (0.32) TSHRADORA3MC4RADRA1AMC3R
SCHEMBL14920973 0.78 ADORA3 (0.31) TSHRADORA3MC4RADRA1AMC3R
SCHEMBL2468463 0.78 SIRT6 (0.34) TSHRADORA3MC4RADRA1AMC3R
SCHEMBL2067479 0.77 CDC7 (0.39) MKNK1MKNK2KDM4ENNMTPARP1
SCHEMBL6886488 0.76 P2RX7 (0.36) MKNK1MKNK2P2RX7KDM4EALDH1A1
SCHEMBL2826536 0.75 ALDH1A1 (0.33) KMT2AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1858862-B1 PYRAZINE -2-CARBOXAMIDE DERIVATIVES AS mGluR5 ANTAGONISTS HOFFMANN LA ROCHE (CH) 2016-04-20 EP claimed
EP-1858854-B1 PYRIDINE-2-CARBOXAMIDE DERIVATIVES AS MGLUR5 ANTAGONISTS HOFFMANN LA ROCHE (CH) 2014-05-07 EP claimed
US-20110312935-A1 1H-Benz Imidazole-5-Carboxamides As Anti-Inflammatory Agents BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-12-22 US claimed
WO-2010100050-A1 PYRIDINE-2-YL-CARBOXYLIC ACID AMIDES F. HOFFMANN-LA ROCHE AG (CH) 2010-09-10 WO claimed
US-20100227887-A1 PYRIDINE-2-YL CARBOXYLIC ACID AMIDES F. HOFFMANN-LA ROCHE AG (CH) 2010-09-09 US claimed
EP-1844044-B1 THIAZOLE-4-CARBOXAMIDE DERIVATIVES AS MGLUR5 ANTAGONISTS HOFFMANN LA ROCHE (CH) 2010-07-21 EP claimed
WO-2010034796-A1 1H-BENZ IMIDAZOLE-5-CARBOXAMIDES AS ANTI-INFLAMMATORY AGENTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-04-01 WO claimed
US-7678815-B2 Thiazole-4-carboxyamide derivatives HOFFMANN-LA ROCHE INC. (US) 2010-03-16 US claimed
US-20090233944-A1 PYRAZINE-2-CARBOXYAMIDE DERIVATIVES JAESCHKE GEORG 2009-09-17 US claimed
EP-1802572-B1 INDOL DERIVATIVES AS INHIBITORS OF SOLUBLE ADENYLYL CYCLASE BAYER SCHERING PHARMA AG (DE) 2009-04-22 EP claimed
EP-1844044-A1 THIAZOLE-4-CARBOXAMIDE DERIVATIVES AS MGLUR5 ANTAGONISTS F.HOFFMANN-LA ROCHE AG (CH) 2007-10-17 EP claimed
WO-2007093542-A1 PYRIDINE-2-CARBOXAMIDE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2007-08-23 WO claimed
US-20070197553-A1 4-Aryl-pyridine-2-carboxyamide derivatives HOFFMANN-LA ROCHE INC. 2007-08-23 US claimed
WO-2006094691-A1 PYRAZINE -2-CARBOXAMIDE DERIVATIVES AS mGluR5 ANTAGONISTS F.HOFFMANN-LA ROCHE AG (CH) 2006-09-14 WO claimed
WO-2006094639-A1 PYRIDINE-2-CARBOXAMIDE DERIVATIVES AS MGLUR5 ANTAGONISTS F.HOFFMANN-LA ROCHE AG (CH) 2006-09-14 WO claimed
US-20060199828-A1 Pyrazine-2-carboxyamide derivatives F. HOFFMANN-LA ROCHE AG (CH) 2006-09-07 US claimed
US-20060199960-A1 e.g. 6-Methyl-3-(pyridin-3-ylamino)-pyridine-2-carboxylic acid (4-methyl-thiazol-2-yl)-amide; metabotropic glutamate receptor antagonists (mGluR); central nervous system disorders, antidepressant, anxiolytc agent; psychosis, epilepsy, schizophrenia, Alzheimer's disease, cognitive disorders HOFFMANN-LA ROCHE INC. 2006-09-07 US claimed
US-20060160857-A1 Thiazole-4-carboxyamide derivatives HOFFMANN-LA ROCHE INC. 2006-07-20 US claimed
WO-2006074884-A1 THIAZOLE-4-CARBOXAMIDE DERIVATIVES AS MGLUR5 ANTAGONISTS F.HOFFMANN-LA ROCHE AG (CH) 2006-07-20 WO claimed
US-20060074084-A1 Inhibitors of soluble adenylate cyclase BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2006-04-06 US claimed

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

For each of this compound's patents that has machine-readable text (8 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-20100227887-A1 PYRIDINE-2-YL CARBOXYLIC ACID AMIDES GRM2, GRM1, GRM3 MKNK1 3671/4885MKNK2 2621/4885P2RX7 154/4885
US-20090233944-A1 PYRAZINE-2-CARBOXYAMIDE DERIVATIVES CNR2, CNR1, CHRNA2 MKNK1 4407/4885MKNK2 3594/4885P2RX7 166/4885
US-20060160857-A1 Thiazole-4-carboxyamide derivatives GRM1, GRM2, GRIA4 MKNK1 4321/4885MKNK2 3611/4885P2RX7 214/4885
US-20110312935-A1 1H-Benz Imidazole-5-Carboxamides As Anti-Inflammatory Agents MAPRE2, MAPRE1, H1-4 MKNK1 1985/4885MKNK2 2592/4885P2RX7 1117/4885
US-20070197553-A1 4-Aryl-pyridine-2-carboxyamide derivatives GRM2, GRM1, GRM3 MKNK1 3419/4885MKNK2 2611/4885P2RX7 165/4885
US-20060199960-A1 e.g. 6-Methyl-3-(pyridin-3-ylamino)-pyridine-2-carboxylic acid (4-methyl-thiazol-2-yl)-amide; metabotropic glutamate receptor antagonists (mGluR); central nervous system disorders, antidepressant, anxiolytc agent; psychosis, epilepsy, schizophrenia, Alzheimer's disease, cognitive disorders GRM3, GRM2, GRM1 MKNK1 2917/4885MKNK2 2807/4885P2RX7 341/4885
US-20060199828-A1 Pyrazine-2-carboxyamide derivatives CNR2, CNR1, CHRNA2 MKNK1 4407/4885MKNK2 3594/4885P2RX7 166/4885
US-20060074084-A1 Inhibitors of soluble adenylate cyclase ADCY1, ADCY2, ADCY5 MKNK1 4128/4885MKNK2 3725/4885P2RX7 693/4885

“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.