SCHEMBL14736244

SCHEMBL14736244

COC(=O)c1ncn(C)c1C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APOBEC3A P31941 4/20 0.44
APOBEC3G Q9HC16 3/20 0.44
NPSR1 Q6W5P4 1/20 0.42
CTDSP1 Q9GZU7 1/20 0.38
KDM4E B2RXH2 4/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
MAPK1 P28482 1/20 0.38
MAPT P10636 1/20 0.37
KDM6B O15054 1/20 0.36
KDM5C P41229 1/20 0.36
KDM4C Q9H3R0 1/20 0.36
KDM2A Q9Y2K7 1/20 0.36
KDM3A Q9Y4C1 1/20 0.36
GAA P10253 2/20 0.36
TP53 P04637 1/20 0.36
FGFR1 P11362 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
PKM P14618 1/20 0.35
TSHR P16473 1/20 0.35
F2 P00734 1/20 0.35

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
SCHEMBL71364 0.89 APOBEC3A (0.46) APOBEC3AAPOBEC3GNPSR1CTDSP1KDM4E
SCHEMBL67836 0.83 APOBEC3A (0.50) APOBEC3AAPOBEC3GNPSR1CTDSP1KDM4E
Methylamine SCHEMBL5149607 0.79 APOBEC3A (0.47) APOBEC3AAPOBEC3GCTDSP1KDM4CGAA
SCHEMBL13651660 0.78 NPSR1 (0.45) APOBEC3AAPOBEC3GNPSR1KDM4EL3MBTL1
SCHEMBL12255736 0.78 NPSR1 (0.45) APOBEC3AAPOBEC3GNPSR1KDM4EL3MBTL1
SCHEMBL31336867 0.76 KDM4E (0.44) APOBEC3AAPOBEC3GNPSR1KDM4EL3MBTL1
SCHEMBL13651652 0.76 NPSR1 (0.43) APOBEC3AAPOBEC3GNPSR1KDM4EL3MBTL1
SCHEMBL31336866 0.76 KDM4E (0.44) APOBEC3AAPOBEC3GNPSR1KDM4EL3MBTL1
SCHEMBL31336864 0.76 NPSR1 (0.43) APOBEC3AAPOBEC3GNPSR1KDM4EL3MBTL1
SCHEMBL19737998 0.76 NPSR1 (0.43) APOBEC3AAPOBEC3GNPSR1KDM4EL3MBTL1

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-2753604-B1 PDE10 MODULATORS HOFFMANN LA ROCHE (CH) 2015-08-19 EP disclosed
US-8772510-B2 PDE10 modulators HOFFMANN-LA ROCHE INC. (US) 2014-07-08 US disclosed
EP-2574607-A1 PDE10 modulators F. Hoffmann-La Roche AG (CH) 2013-04-03 EP disclosed
WO-2013034506-A1 PDE10 MODULATORS F. HOFFMANN-LA ROCHE AG (CH) 2013-03-14 WO disclosed
US-20130059833-A1 PDE10 MODULATORS F. HOFFMANN-LA ROCHE AG (CH) 2013-03-07 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-20130059833-A1 PDE10 MODULATORS PDE10A, PDE5A, PDE2A APOBEC3A 4224/4885APOBEC3G 4156/4885NPSR1 321/4885

“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.