SCHEMBL14736658

SCHEMBL14736658

C[C](C(N)=O)c1nc(-c2ccccc2)c[nH]1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 3/20 0.40
ADORA1 P30542 3/20 0.40
MAP2K3 P46734 1/20 0.40
MEN1 O00255 4/20 0.39
KMT2A Q03164 4/20 0.39
KDM4E B2RXH2 4/20 0.39
PDGFRB P09619 1/20 0.37
ALDH1A1 P00352 4/20 0.37
PARP1 P09874 2/20 0.37
ADORA2B P29275 1/20 0.37
ADORA2A P29274 1/20 0.37
MAPT P10636 3/20 0.36
HPGD P15428 2/20 0.36
NPSR1 Q6W5P4 1/20 0.36
RXFP1 Q9HBX9 1/20 0.36
CYP2C19 P33261 1/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
NR1H2 P55055 1/20 0.36
NR1H3 Q13133 1/20 0.36

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
SCHEMBL4243696 0.83 MAP2K3 (0.47) MAP2K3MEN1KMT2AKDM4EALDH1A1
SCHEMBL14736279 0.82 ADORA3 (0.48) ADORA3ADORA1MEN1KMT2APDGFRB
SCHEMBL27662263 0.80 TP53 (0.41) ADORA3ADORA1MAP2K3MEN1KMT2A
SCHEMBL9324010 0.80 TP53 (0.44) ADORA3ADORA1MAP2K3MEN1KMT2A
SCHEMBL21336547 0.77 MEN1 (0.38) ADORA1MAP2K3MEN1KMT2AKDM4E
SCHEMBL9521709 0.77 ALDH1A1 (0.41) ADORA1MAP2K3MEN1KMT2AKDM4E
SCHEMBL259469 0.76 GAA (0.51) KMT2AKDM4EPDGFRBALDH1A1HPGD
SCHEMBL10622534 0.76 ALDH1A1 (0.45) ADORA3ADORA1MEN1KMT2AKDM4E
SCHEMBL14564382 0.75 DHODH (0.50) MAP2K3PARP1MAPK1
SCHEMBL7439224 0.74 ATP4A (0.37) ADORA1MAP2K3MEN1KMT2AKDM4E

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-8772510-B2 PDE10 modulators HOFFMANN-LA ROCHE INC. (US) 2014-07-08 US claimed
US-20130059833-A1 PDE10 MODULATORS F. HOFFMANN-LA ROCHE AG (CH) 2013-03-07 US claimed
US-8772510-B2 PDE10 modulators HOFFMANN-LA ROCHE INC. (US) 2014-07-08 US 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 ADORA3 264/4885ADORA1 110/4885MAP2K3 2402/4885

“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.