SCHEMBL2396825

SCHEMBL2396825

Cn1ncc(C(=O)O)c1C(=O)Nc1cc2nc(-c3cccc(OCCF)c3)cn2cn1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 8/20 0.46
DHODH Q02127 1/20 0.39
HSD17B10 Q99714 1/20 0.37
BRAF P15056 2/20 0.36
PTPN11 Q06124 1/20 0.36
ALDH1A1 P00352 4/20 0.36
SMN1; SMN2 Q16637 4/20 0.36
KDM4E B2RXH2 3/20 0.36
HPGD P15428 3/20 0.36
RAB9A P51151 3/20 0.36
NPC1 O15118 2/20 0.36
MAPT P10636 2/20 0.36
THRB P10828 1/20 0.36
LMNA P02545 2/20 0.35
GAA P10253 1/20 0.35
HTT P42858 1/20 0.35
NR1H4 Q96RI1 1/20 0.35
GFER P55789 1/20 0.35
PKM P14618 1/20 0.35
NFKB1 P19838 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
SCHEMBL2387443 0.86 PDE10A (0.59) PDE10ADHODHHSD17B10ALDH1A1KDM4E
SCHEMBL1522076 0.86 PDE10A (0.59) PDE10AALDH1A1SMN1; SMN2KDM4EHPGD
SCHEMBL14672689 0.79 PDE10A (0.61) PDE10AHSD17B10RAB9AMAPTTHRB
SCHEMBL6891087 0.79 PDE10A (0.57) PDE10AALDH1A1SMN1; SMN2KDM4EHPGD
SCHEMBL6892979 0.79 PDE10A (0.57) PDE10AALDH1A1SMN1; SMN2KDM4EHPGD
SCHEMBL1457842 0.79 PDE10A (0.53) PDE10AHSD17B10ALDH1A1SMN1; SMN2KDM4E
SCHEMBL1459314 0.79 PDE10A (0.53) PDE10A
SCHEMBL6889352 0.79 PDE10A (0.55) PDE10AALDH1A1SMN1; SMN2KDM4EHPGD
SCHEMBL6916987 0.78 PDE10A (0.63) PDE10AALDH1A1KDM4ERAB9AMAPT
SCHEMBL1457763 0.78 PDE10A (0.51) PDE10AALDH1A1KDM4ETP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110237564-A1 IMIDAZOPYRIMIDINE DERIVATIVES HOFFMANN-LA ROCHE INC. 2011-09-29 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-20110237564-A1 IMIDAZOPYRIMIDINE DERIVATIVES PDE5A, PDE3B, PDE3A PDE10A 10/4885DHODH 224/4885HSD17B10 438/4885

“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.