SCHEMBL1833232

SCHEMBL1833232

Cn1cc(C(N)=O)c(C(N)=O)n1

nearest known ligand 0.66

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 2/20 0.49
ADORA1 P30542 2/20 0.49
IRAK4 Q9NWZ3 12/20 0.42
L3MBTL1 Q9Y468 1/20 0.37
KDM4E B2RXH2 1/20 0.36
LMNA P02545 1/20 0.36
ADORA3 P0DMS8 1/20 0.36
PKM P14618 1/20 0.36
ADORA2B P29275 1/20 0.36
KAT2B Q92831 1/20 0.36
GAA P10253 2/20 0.36

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
SCHEMBL28262634 0.88 ADORA2A (0.46) ADORA2AADORA1IRAK4L3MBTL1KDM4E
SCHEMBL19657430 0.83 GAA (0.44) ADORA2AADORA1IRAK4L3MBTL1GAA
SCHEMBL7516019 0.83 ADORA2A (0.40) ADORA2AADORA1IRAK4L3MBTL1LMNA
SCHEMBL7515585 0.83 GAA (0.44) ADORA2AADORA1IRAK4L3MBTL1LMNA
SCHEMBL29002489 0.81 ADORA2A (0.42) ADORA2AADORA1IRAK4L3MBTL1KDM4E
SCHEMBL15402420 0.79 ALDH1A1 (0.44)
SCHEMBL7518894 0.79 ALDH1A1 (0.47)
SCHEMBL174293 0.79 ADORA2A (0.45) ADORA2AADORA1L3MBTL1KDM4EADORA3
SCHEMBL1224892 0.79 GAA (0.50) ADORA2AADORA1GAA
SCHEMBL31759474 0.79 ADORA2A (0.49) ADORA2AADORA1IRAK4KDM4ELMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2580207-B1 NITROGEN CONTAINING HETEROARYL COMPOUNDS HOFFMANN LA ROCHE (CH) 2017-09-27 EP claimed
US-8703768-B2 Nitrogen containing heteroaryl compounds HOFFMANN-LA ROCHE INC. (US) 2014-04-22 US claimed
US-8623866-B2 2014-01-07 US claimed
EP-2231654-B1 NEW 2-SUBSTITUTED TIAZOL-4-CARBOXYLIC ACID DERIVATIVES, THEIR MANUFACTURE AND USE AS MEDICINE BAYER IP GMBH (DE) 2013-07-03 EP claimed
EP-2580207-A1 NITROGEN CONTAINING HETEROARYL COMPOUNDS F. Hoffmann-La Roche AG (CH) 2013-04-17 EP claimed
EP-2231652-B1 NOVEL 2-HETARYL THIAZOLE-4-CARBOXAMIDE DERIVATIVES, PRODUCTION THEREOF, AND USE THEREOF AS A MEDICAMENT Bayer Pharma AG (DE) 2012-05-30 EP claimed
WO-2011154327-A1 NITROGEN CONTAINING HETEROARYL COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2011-12-15 WO claimed
US-20110306589-A1 NITROGEN CONTAINING HETEROARYL COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2011-12-15 US claimed
EP-2240457-B1 NOVEL 2-ARYL-THIAZOLE-4-CARBOXAMIDE DERIVATIVES, PRODUCTION THEREOF, AND USE THEREOF AS A MEDICAMENT BAYER SCHERING PHARMA AG (DE) 2011-05-11 EP claimed
EP-2070916-A1 2-Arylthiazol-4-carboxylic acid derivatives, their manufacture and use as medicine Bayer Schering Pharma Aktiengesellschaft (DE) 2009-06-17 EP claimed
EP-2580207-B1 NITROGEN CONTAINING HETEROARYL COMPOUNDS HOFFMANN LA ROCHE (CH) 2017-09-27 EP disclosed
US-8703768-B2 Nitrogen containing heteroaryl compounds HOFFMANN-LA ROCHE INC. (US) 2014-04-22 US disclosed
US-8623866-B2 2014-01-07 US disclosed
EP-2231654-B1 NEW 2-SUBSTITUTED TIAZOL-4-CARBOXYLIC ACID DERIVATIVES, THEIR MANUFACTURE AND USE AS MEDICINE BAYER IP GMBH (DE) 2013-07-03 EP disclosed
EP-2580207-A1 NITROGEN CONTAINING HETEROARYL COMPOUNDS F. Hoffmann-La Roche AG (CH) 2013-04-17 EP disclosed
WO-2011154327-A1 NITROGEN CONTAINING HETEROARYL COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2011-12-15 WO disclosed
EP-2240457-A1 NOVEL 2-ARYL-THIAZOLE-4-CARBOXAMIDE DERIVATIVES, PRODUCTION THEREOF, AND USE THEREOF AS A MEDICAMENT Bayer Schering Pharma Aktiengesellschaft (DE) 2010-10-20 EP disclosed
WO-2009074247-A1 NOVEL 2-ARYL-THIAZOLE-4-CARBOXAMIDE DERIVATIVES, PRODUCTION THEREOF, AND USE THEREOF AS A MEDICAMENT BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2009-06-18 WO disclosed
EP-2070916-A1 2-Arylthiazol-4-carboxylic acid derivatives, their manufacture and use as medicine Bayer Schering Pharma Aktiengesellschaft (DE) 2009-06-17 EP disclosed
EP-2070925-A1 New 2-substituted tiazol-4-carboxylic acid derivatives, their manufacture and use as medicine Bayer Schering Pharma Aktiengesellschaft (DE) 2009-06-17 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 (1 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-20110306589-A1 NITROGEN CONTAINING HETEROARYL COMPOUNDS PDE10A, PDE3A, PDE2A ADORA2A 66/4885ADORA1 64/4885IRAK4 4696/4885

“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.