SCHEMBL2408176

SCHEMBL2408176

CCOC(=O)c1nc(O)cnc1C

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.46
NPC1 O15118 3/20 0.46
MAPT P10636 3/20 0.46
MAPK1 P28482 2/20 0.46
TP53 P04637 2/20 0.46
NPSR1 Q6W5P4 2/20 0.46
XBP1 P17861 1/20 0.46
HTT P42858 1/20 0.46
HSD17B10 Q99714 1/20 0.46
TLR9 Q9NR96 1/20 0.46
CYP1A2 P05177 2/20 0.43
CA12 O43570 3/20 0.41
CA1 P00915 3/20 0.41
CA2 P00918 3/20 0.41
CA7 P43166 3/20 0.41
CA9 Q16790 3/20 0.41
CA14 Q9ULX7 3/20 0.41
KDM4E B2RXH2 2/20 0.41
ESR1 P03372 1/20 0.41
ESR2 Q92731 1/20 0.41

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
SCHEMBL22715979 0.85 ALDH1A1 (0.44) ALDH1A1NPC1MAPTMAPK1TP53
SCHEMBL2256869 0.82 NPSR1 (0.48) ALDH1A1MAPK1NPSR1HSD17B10KDM4E
SCHEMBL2407807 0.81 ALDH1A1 (0.51) ALDH1A1NPC1MAPTMAPK1TP53
SCHEMBL2410980 0.79 HSP90AA1 (0.47) ALDH1A1NPC1MAPTMAPK1TP53
SCHEMBL21572852 0.77 ALDH1A1 (0.56) ALDH1A1NPC1MAPTMAPK1TP53
SCHEMBL2407755 0.76 CYP1A2 (0.43) ALDH1A1NPC1MAPTMAPK1TP53
SCHEMBL750492 0.74 BRD4 (0.51) ALDH1A1NPC1MAPTMAPK1TP53
SCHEMBL8309273 0.74 KDM4E (0.49) ALDH1A1NPC1MAPK1CYP1A2CA12
SCHEMBL8991969 0.74 ALDH1A1 (0.53) ALDH1A1NPC1MAPTNPSR1HTT
SCHEMBL2131407 0.73 ALDH1A1 (0.45) ALDH1A1NPC1MAPTNPSR1HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2539342-B1 PYRAZOLOPYRIMIDINE COMPOUNDS AND THEIR USE AS PDE10 INHIBITORS MITSUBISHI TANABE PHARMA CORP (JP) 2015-04-15 EP disclosed
US-8969376-B2 Pyrazolopyrimidine compounds and their use as PDE10 inhibitors MITSUBISHI TANABE PHARMA CORPORATION (JP) 2015-03-03 US disclosed
EP-2539342-A1 PYRAZOLOPYRIMIDINE COMPOUNDS AND THEIR USE AS PDE10 INHIBITORS Mitsubishi Tanabe Pharma Corporation (JP) 2013-01-02 EP disclosed
US-20120309754-A1 PYRAZOLOPYRIMIDINE COMPOUNDS AND THEIR USE AS PDE10 INHIBITORS MITSUBISHI TANABE PHARMA CORPORATION (JP) 2012-12-06 US disclosed
WO-2011105628-A1 PYRAZOLOPYRIMIDINE COMPOUNDS AND THEIR USE AS PDE10 INHIBITORS MITSUBISHI TANABE PHARMA CORPORATION (JP) 2011-09-01 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-20120309754-A1 PYRAZOLOPYRIMIDINE COMPOUNDS AND THEIR USE AS PDE10 INHIBITORS PDE3B, PDE3A, PDE5A ALDH1A1 619/4885NPC1 4264/4885MAPT 4404/4885

“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.