SCHEMBL1369867

SCHEMBL1369867

CCCNCCC(=O)Nc1ncnc2[nH]cnc12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
XDH P47989 2/20 0.44
HTT P42858 1/20 0.38
HDAC1 Q13547 3/20 0.34
HDAC2 Q92769 3/20 0.34
AURKA O14965 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.33
BRD4 O60885 2/20 0.33
HSD17B10 Q99714 2/20 0.33
TP53 P04637 1/20 0.33
TSHR P16473 1/20 0.33
ALDH1A1 P00352 2/20 0.33
LMNA P02545 1/20 0.32
GAA P10253 1/20 0.32
GSK3B P49841 3/20 0.32
GSK3A P49840 2/20 0.32
KDM4E B2RXH2 1/20 0.32
MAPT P10636 1/20 0.32
CASP1 P29466 1/20 0.32
CASP7 P55210 1/20 0.32
EGFR P00533 1/20 0.32

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
Hydrochloric Acid SCHEMBL1371882 0.99 XDH (0.43) XDHHTTHDAC1HDAC2AURKA
SCHEMBL1369301 0.91 XDH (0.42) XDHHTTHDAC1HDAC2AURKA
Hydrochloric Acid SCHEMBL1369764 0.90 XDH (0.41) XDHHTTHDAC1HDAC2AURKA
SCHEMBL1371416 0.85 XDH (0.41) XDHHTTHDAC1HDAC2AURKA
SCHEMBL2623138 0.84 XDH (0.62) XDHHDAC1HDAC2AURKASMN1; SMN2
Hydrochloric Acid SCHEMBL1370900 0.84 XDH (0.40) XDHHTTHDAC1HDAC2AURKA
SCHEMBL1371117 0.83 XDH (0.35) XDHHSD17B10TP53TSHRKDM4E
SCHEMBL5193809 0.83 XDH (0.61) XDHHDAC1HDAC2AURKASMN1; SMN2
SCHEMBL7052321 0.83 XDH (0.61) XDHHDAC1HDAC2AURKASMN1; SMN2
SCHEMBL17778780 0.82 XDH (0.42) XDHHTTSMN1; SMN2BRD4HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110288106-A1 ADENINE RECEPTOR LIGANDS Rheinische Friedrich-Wilhelms-Universitaet Bonn Regina-Pacis-Weg 3 (DE) 2011-11-24 US claimed
EP-2303884-A1 ADENINE RECEPTOR LIGANDS Rheinische Friedrich-Wilhelms-Universität Bonn (DE) 2011-04-06 EP claimed
WO-2010000429-A1 ADENINE RECEPTOR LIGANDS Rheinische Friedrich-Wilhelms-Universität Bonn (DE) 2010-01-07 WO claimed
EP-2141166-A1 Adenine receptor ligands Rheinische Friedrich-Wilhelms-Universität Bonn (DE) 2010-01-06 EP claimed
US-20110288106-A1 ADENINE RECEPTOR LIGANDS Rheinische Friedrich-Wilhelms-Universitaet Bonn Regina-Pacis-Weg 3 (DE) 2011-11-24 US disclosed
US-20110288106-A1 ADENINE RECEPTOR LIGANDS Rheinische Friedrich-Wilhelms-Universitaet Bonn Regina-Pacis-Weg 3 (DE) 2011-11-24 US disclosed
US-20110288106-A1 ADENINE RECEPTOR LIGANDS Rheinische Friedrich-Wilhelms-Universitaet Bonn Regina-Pacis-Weg 3 (DE) 2011-11-24 US disclosed
EP-2303884-A1 ADENINE RECEPTOR LIGANDS Rheinische Friedrich-Wilhelms-Universität Bonn (DE) 2011-04-06 EP disclosed
WO-2010000429-A1 ADENINE RECEPTOR LIGANDS Rheinische Friedrich-Wilhelms-Universität Bonn (DE) 2010-01-07 WO disclosed
WO-2010000429-A1 ADENINE RECEPTOR LIGANDS Rheinische Friedrich-Wilhelms-Universität Bonn (DE) 2010-01-07 WO disclosed
EP-2141166-A1 Adenine receptor ligands Rheinische Friedrich-Wilhelms-Universität Bonn (DE) 2010-01-06 EP disclosed
EP-2141166-A1 Adenine receptor ligands Rheinische Friedrich-Wilhelms-Universität Bonn (DE) 2010-01-06 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-20110288106-A1 ADENINE RECEPTOR LIGANDS ADORA2A, ADORA1, ADORA3 XDH 408/4885HTT 1062/4885HDAC1 3321/4885

“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.