SCHEMBL2056993

SCHEMBL2056993

COc1cccc(-c2nccnc2C#N)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.56
HTT P42858 2/20 0.56
TP53 P04637 1/20 0.56
DYRK1A Q13627 1/20 0.53
CLK4 Q9HAZ1 1/20 0.53
ADORA2A P29274 3/20 0.52
ADORA1 P30542 3/20 0.52
ADORA2B P29275 1/20 0.52
RXFP1 Q9HBX9 2/20 0.48
MAPT P10636 1/20 0.48
PDE10A Q9Y233 2/20 0.47
NPSR1 Q6W5P4 2/20 0.47
KMT2A Q03164 2/20 0.47
LRRK2 Q5S007 1/20 0.47
MEN1 O00255 1/20 0.47
CDK1 P06493 2/20 0.46
CCNB2 O95067 1/20 0.46
CCNB1 P14635 1/20 0.46
GSK3A P49840 1/20 0.46
GSK3B P49841 1/20 0.46

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
SCHEMBL6749588 0.82 MAOB (0.53) TP53MAPTGAA
SCHEMBL1867048 0.81 DYRK1A (0.55) HPGDHTTTP53DYRK1ACLK4
SCHEMBL2056791 0.80 LRRK2 (0.44) HPGDDYRK1ACLK4ADORA2AADORA1
SCHEMBL7944851 0.78 DYRK1A (0.59) DYRK1ACLK4ADORA2AADORA1MAPT
SCHEMBL21722565 0.76 ADORA2B (0.49) HPGDCLK4ADORA2AADORA1ADORA2B
SCHEMBL10427642 0.75 ERBB2 (0.53) HTTTP53DYRK1ACLK4ADORA2A
SCHEMBL11090147 0.74 KDM4E (0.49) HPGDHTTTP53DYRK1ACLK4
SCHEMBL28824499 0.73 CLK4 (0.62) HPGDDYRK1ACLK4PDE10ACDK1
SCHEMBL10094648 0.73 DYRK1A (0.62) HPGDDYRK1ACLK4ADORA2APDE10A
SCHEMBL27265882 0.72 DYRK1A (0.60) HPGDDYRK1ACLK4ADORA2AADORA1

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-20110105491-A1 THIAZOLIDINE COMPOUNDS AS OREXIN RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD. (CH) 2011-05-05 US disclosed
WO-2010038200-A1 OXAZOLIDINE COMPOUNDS AS OREXIN RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2010-04-08 WO disclosed
WO-2010004507-A1 THIAZOLIDINE COMPOUNDS AS OREXIN RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2010-01-14 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-20110105491-A1 THIAZOLIDINE COMPOUNDS AS OREXIN RECEPTOR ANTAGONISTS HCRTR2, HCRTR1, OXTR HPGD 2597/4885HTT 467/4885TP53 4857/4885

“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.