SCHEMBL3766068

SCHEMBL3766068

N#Cc1sc(NC(=O)C2CCC(C(=O)O)C2)nc1-c1ccccc1.N#Cc1sc(NC(=O)[C@H]2CCCC[C@H]2C(=O)O)nc1-c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 8/20 0.50
ADORA1 P30542 7/20 0.48
RAB9A P51151 2/20 0.46
LMNA P02545 1/20 0.46
ADORA3 P0DMS8 5/20 0.46
CYP1A2 P05177 1/20 0.43
CYP2C19 P33261 1/20 0.43
MEN1 O00255 1/20 0.43
POLB P06746 1/20 0.43
CASP6 P55212 1/20 0.43
KMT2A Q03164 1/20 0.43
CASR P41180 1/20 0.42
NPC1 O15118 1/20 0.42

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
SCHEMBL3788323 0.96 ADORA2A (0.50) ADORA2AADORA1RAB9ALMNAADORA3
SCHEMBL3788321 0.96 ADORA2A (0.50) ADORA2AADORA1RAB9ALMNAADORA3
SCHEMBL1849285 0.94 ADORA2A (0.55) ADORA2AADORA1RAB9ALMNAADORA3
SCHEMBL1850220 0.94 ADORA2A (0.55) ADORA2AADORA1RAB9ALMNAADORA3
SCHEMBL23839858 0.93 ADORA2A (0.56) ADORA2AADORA1ADORA3CASR
SCHEMBL1847715 0.93 ADORA2A (0.56) ADORA2AADORA1ADORA3CASR
SCHEMBL1847597 0.93 ADORA2A (0.56) ADORA2AADORA1ADORA3CASR
SCHEMBL21628114 0.93 ADORA2A (0.56) ADORA2AADORA1ADORA3CASR
SCHEMBL1848773 0.93 ADORA2A (0.56) ADORA2AADORA1ADORA3CASR
SCHEMBL23837276 0.93 ADORA2A (0.56) ADORA2AADORA1ADORA3CASR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100311703-A1 NEW COMPOUNDS AS ADENOSINE A1 RECEPTOR ANTAGONISTS PALOBIOFARMA, S.L. (ES) 2010-12-09 US 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-20100311703-A1 NEW COMPOUNDS AS ADENOSINE A1 RECEPTOR ANTAGONISTS ADORA1, ADORA2A, ADORA3 ADORA2A 2/4885ADORA1 1/4885RAB9A 2107/4885

“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.