SCHEMBL1355461

SCHEMBL1355461

CN(C)/C=N\c1cc(C#N)ccn1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.39
MAPT P10636 2/20 0.38
ALDH1A1 P00352 9/20 0.35
SMN1; SMN2 Q16637 3/20 0.35
KDM4E B2RXH2 7/20 0.35
HTT P42858 5/20 0.35
L3MBTL1 Q9Y468 4/20 0.35
MAPK1 P28482 3/20 0.35
HSD17B10 Q99714 3/20 0.35
NPC1 O15118 2/20 0.35
RAB9A P51151 2/20 0.35
LMNA P02545 2/20 0.35
GLA P06280 1/20 0.35
ALOX15 P16050 1/20 0.35
HPGD P15428 2/20 0.34
TDP1 Q9NUW8 1/20 0.34
KMT2A Q03164 2/20 0.33
CLK4 Q9HAZ1 1/20 0.33
CYP11B1 P15538 1/20 0.33
CYP11B2 P19099 1/20 0.33

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
SCHEMBL1355462 1.00 GAA (0.39) GAAMAPTALDH1A1SMN1; SMN2KDM4E
SCHEMBL1355168 0.76 PLAU (0.49) GAAMAPTALDH1A1SMN1; SMN2KDM4E
SCHEMBL1355169 0.76 PLAU (0.49) GAAMAPTALDH1A1SMN1; SMN2KDM4E
SCHEMBL1354531 0.75 GAA (0.43) GAAMAPTALDH1A1SMN1; SMN2KDM4E
SCHEMBL1354532 0.75 GAA (0.43) GAAMAPTALDH1A1SMN1; SMN2KDM4E
SCHEMBL1353065 0.75 KMT2A (0.43) GAAMAPTALDH1A1SMN1; SMN2KDM4E
SCHEMBL1353063 0.75 KMT2A (0.43) GAAMAPTALDH1A1SMN1; SMN2KDM4E
SCHEMBL1355074 0.72 NOS3 (0.44) GAAMAPTALDH1A1SMN1; SMN2KDM4E
SCHEMBL21563375 0.72 PLAU (0.53) GAAALDH1A1SMN1; SMN2KDM4EHTT
SCHEMBL1355073 0.72 NOS3 (0.44) GAAMAPTALDH1A1SMN1; SMN2KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9029393-B2 Adenosine receptor ligands and uses thereof KALDI PHARMA, SAS (FR) 2015-05-12 US disclosed
EP-2391625-B1 New adenosine receptor ligands and uses thereof DOMAIN THERAPEUTICS (FR) 2013-05-01 EP disclosed
US-20110288074-A1 NEW ADENOSINE RECEPTOR LIGANDS AND USES THEREOF DOMAIN THERAPEUTICS (FR) 2011-11-24 US disclosed
EP-2210891-A1 New adenosine receptor ligands and uses thereof Domain Therapeutics (FR) 2010-07-28 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-20110288074-A1 NEW ADENOSINE RECEPTOR LIGANDS AND USES THEREOF ADORA2A, ADORA1, ADORA2B GAA 487/4885MAPT 570/4885ALDH1A1 637/4885

“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.