SCHEMBL174293

SCHEMBL174293

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

nearest known ligand 0.66

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 3/20 0.45
ADORA1 P30542 3/20 0.45
EEF2K O00418 1/20 0.36
PROKR1 Q8TCW9 3/20 0.36
GAA P10253 2/20 0.36
ADORA3 P0DMS8 1/20 0.36
RCE1 Q9Y256 1/20 0.35
IKBKB O14920 1/20 0.34
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
GLA P06280 1/20 0.34
HPGD P15428 1/20 0.34
L3MBTL1 Q9Y468 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
SCHEMBL8228221 0.83 ADORA2A (0.38) ADORA2AADORA1PROKR1GAAADORA3
SCHEMBL8784955 0.83 NAPRT (0.38) ADORA2AADORA1PROKR1GAAADORA3
SCHEMBL29002489 0.81 ADORA2A (0.42) ADORA2AADORA1GAAADORA3KDM4E
SCHEMBL2076844 0.80 L3MBTL1 (0.40) ADORA2AADORA1EEF2KIKBKBL3MBTL1
SCHEMBL1833232 0.79 ADORA2A (0.49) ADORA2AADORA1GAAADORA3KDM4E
SCHEMBL1224892 0.79 GAA (0.50) ADORA2AADORA1PROKR1GAAALDH1A1
SCHEMBL6600155 0.79 SMN1; SMN2 (0.39) ADORA2AADORA1PROKR1GAAADORA3
SCHEMBL21117539 0.79 GAA (0.46) ADORA2AADORA1GAAALDH1A1L3MBTL1
SCHEMBL11564068 0.79 F2 (0.52) ADORA2AADORA1PROKR1GAAADORA3
SCHEMBL8799072 0.78 ADORA2A (0.41) ADORA2AADORA1GAAL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023185986-A1 BCL-XL INHIBITORS BEIGENE , LTD. (KY) 2023-10-05 WO disclosed
US-20130303533-A1 AZOLOPYRIDINE AND AZOLOPYRIMIDINE COMPOUNDS AND METHODS OF USE THEREOF AMBIT BIOSCIENCES CORPORATION (US) 2013-11-14 US disclosed
EP-2611809-A1 AZOLOPYRIDINE AND AZOLOPYRIMIDINE COMPOUNDS AND METHODS OF USE THEREOF Ambit Biosciences Corporation (US) 2013-07-10 EP disclosed
WO-2012030924-A1 AZOLOPYRIDINE AND AZOLOPYRIMIDINE COMPOUNDS AND METHODS OF USE THEREOF AMBIT BIOSCIENCES CORPORATION (US) 2012-03-08 WO disclosed
EP-0623113-B1 PYRAZOLE CARBOXANILIDE FUNGICIDES MONSANTO CO (US) 1997-03-05 EP disclosed
EP-0623113-A1 PYRAZOLE CARBOXANILIDE FUNGICIDES. MONSANTO CO (US) 1994-11-09 EP disclosed
US-5223526-A For plants MONSANTO COMPANY (US) 1993-06-29 US disclosed
WO-1993011117-A1 PYRAZOLE CARBOXANILIDE FUNGICIDES MONSANTO COMPANY (US) 1993-06-10 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 (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-20130303533-A1 AZOLOPYRIDINE AND AZOLOPYRIMIDINE COMPOUNDS AND METHODS OF USE THEREOF JAK3, JAK2, JAK1 ADORA2A 1933/4885ADORA1 3035/4885EEF2K 709/4885

“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.