SCHEMBL4837873

SCHEMBL4837873

Cc1[nH]c2c(=O)n(C3CCNCC3)c(=O)[nH]c2c1C#N

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PLAT P00750 2/20 0.36
ADORA3 P0DMS8 1/20 0.35
ADORA2B P29275 1/20 0.35
PIK3CD O00329 10/20 0.34
PIK3R2 O00459 9/20 0.33
JAK2 O60674 1/20 0.32
JAK3 P52333 1/20 0.32
PGR P06401 2/20 0.32
TSHR P16473 1/20 0.31
DRD4 P21917 1/20 0.31
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
OPRM1 P35372 1/20 0.30

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
SCHEMBL4866189 0.71 ABCC2 (0.40)
SCHEMBL4878338 0.71 SMN1; SMN2 (0.47) ADORA3TSHRKDM4EALDH1A1OPRM1
SCHEMBL15575058 0.67 TNKS (0.56) PLATPGRALDH1A1OPRM1
Bromide SCHEMBL8857833 0.67 PDE7A (0.40) JAK2JAK3TSHRKDM4EALDH1A1
SCHEMBL4647520 0.65 PGR (0.46) PGROPRM1
Hydrochloric Acid SCHEMBL16876892 0.64 JAK2 (0.44) JAK2JAK3PGROPRM1
SCHEMBL24700883 0.64 JAK2 (0.37) ADORA3ADORA2BJAK2JAK3TSHR
Bromide SCHEMBL8857859 0.64 PARG (0.48) JAK2JAK3DRD4KDM4EALDH1A1
SCHEMBL3243793 0.64 HSD11B1 (0.53) OPRM1
SCHEMBL24700886 0.64 ADORA2B (0.79) ADORA3ADORA2BJAK2JAK3KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080312211-A1 Antibacterial Pyrrolopyridines, Pyrrolopyrimidines and Pyrroloazepines-154 ASTRAZENECA AB (SE) 2008-12-18 US disclosed
EP-1991545-A2 ANTIBACTERIAL PYRROLOPYRIDINES, PYRROLOPYRIMIDINES, AND PYRROLOAZEPINES AstraZeneca AB (SE) 2008-11-19 EP disclosed
WO-2007071965-A2 ANTIBACTERIAL PYRROLOPYRIDINES, PYRROLOPYRIMIDINES, AND PYRROLOAZEPINES ASTRAZENECA AB (SE) 2007-06-28 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-20080312211-A1 Antibacterial Pyrrolopyridines, Pyrrolopyrimidines and Pyrroloazepines-154 SDHA, QDPR, PNKP PLAT 2054/4885ADORA3 4442/4885ADORA2B 4105/4885

“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.