SCHEMBL1369301

SCHEMBL1369301

CCNCCC(=O)Nc1ncnc2[nH]cnc12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
XDH P47989 1/20 0.42
HDAC1 Q13547 2/20 0.34
HDAC2 Q92769 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
TP53 P04637 2/20 0.33
HSD17B10 Q99714 2/20 0.33
HTT P42858 1/20 0.33
TSHR P16473 1/20 0.33
AURKA O14965 2/20 0.32
EGFR P00533 1/20 0.32
ERBB2 P04626 1/20 0.32
KDR P35968 1/20 0.32
BRAF P15056 1/20 0.32
BRD4 O60885 3/20 0.31
NPC1 O15118 2/20 0.31
RAB9A P51151 2/20 0.31
CYP3A4 P08684 1/20 0.31
KDM4E B2RXH2 1/20 0.31
HPGD P15428 1/20 0.31
KMT2A Q03164 1/20 0.31

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 SCHEMBL1369764 0.99 XDH (0.41) XDHHDAC1HDAC2SMN1; SMN2TP53
SCHEMBL1369867 0.91 XDH (0.44) XDHHDAC1HDAC2SMN1; SMN2TP53
Hydrochloric Acid SCHEMBL1371882 0.90 XDH (0.43) XDHHDAC1HDAC2SMN1; SMN2TP53
SCHEMBL1371416 0.86 XDH (0.41) XDHHDAC1HDAC2SMN1; SMN2TP53
Hydrochloric Acid SCHEMBL1370900 0.85 XDH (0.40) XDHHDAC1HDAC2SMN1; SMN2TP53
SCHEMBL17778780 0.83 XDH (0.42) XDHSMN1; SMN2TP53HSD17B10HTT
SCHEMBL2623138 0.83 XDH (0.62) XDHHDAC1HDAC2SMN1; SMN2AURKA
SCHEMBL1371117 0.82 XDH (0.35) XDHTP53HSD17B10TSHRKDM4E
SCHEMBL1369225 0.82 XDH (0.41) XDHHDAC1HDAC2TSHRBRAF
SCHEMBL1372970 0.82 AURKA (0.45) HDAC1HDAC2TSHRAURKAERBB2

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 408/4885HDAC1 3321/4885HDAC2 3234/4885

“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.