SCHEMBL4055848

SCHEMBL4055848

NCc1ncnc(Cl)c1N

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.44
RAB9A P51151 1/20 0.36
GALR3 O60755 1/20 0.36
KDM4C Q9H3R0 1/20 0.35
MAPT P10636 2/20 0.32
GAA P10253 1/20 0.32
RXFP1 Q9HBX9 1/20 0.32
KDM4E B2RXH2 1/20 0.31
LMNA P02545 1/20 0.31
KMT2A Q03164 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
CHEK1 O14757 1/20 0.31
PDE4A P27815 1/20 0.30
PDE4B Q07343 1/20 0.30
PDE4C Q08493 1/20 0.30
PDE4D Q08499 1/20 0.30

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
SCHEMBL4060784 0.83 HTT (0.41) HTTRAB9AGALR3KDM4CMAPT
SCHEMBL4065317 0.79 HTT (0.39) HTTRAB9AGALR3KDM4CMAPT
SCHEMBL41301 0.77
SCHEMBL1966180 0.74 HTT (0.38) HTTRAB9AGALR3KDM4CMAPT
SCHEMBL846275 0.71
SCHEMBL9046750 0.71 ALDH1A1 (0.39) MAPTGAALMNAKMT2ASMN1; SMN2
SCHEMBL783585 0.70
SCHEMBL6658994 0.69 CA1 (0.43) HTTRAB9AMAPTKDM4ELMNA
SCHEMBL18345199 0.68
SCHEMBL13495922 0.67

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-7517888-B2 e.g. cyclopentyl(9-ethyl-8-phenylpurin-6-yl)amine; diuretic; heart failure, chronic renal disease, cirrhosis CV THERAPEUTICS, INC. (US) 2009-04-14 US disclosed
EP-1751159-A2 PURINE DERIVATIVES AS A1 ADENOSINE RECEPTOR ANTAGONISTS CV THERAPEUTICS, INC. (US) 2007-02-14 EP disclosed
WO-2005105803-A2 PURINE DERIVATIVES AS A1 ADENOSINE RECEPTOR ANTAGONISTS CV THERAPEUTICS, INC. (US) 2005-11-10 WO disclosed
US-20050245546-A1 A1 adenosine receptor antagonists CV THERAPEUTICS, INC. 2005-11-03 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-20050245546-A1 A1 adenosine receptor antagonists ADORA1, ADORA2A, ADORA3 HTT 2440/4885RAB9A 1681/4885GALR3 639/4885

“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.