SCHEMBL717477

SCHEMBL717477

COC(=O)c1nc(C2CC2)nc(N(C)C)c1C

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.41
GAA P10253 1/20 0.41
KMT2A Q03164 1/20 0.41
NPSR1 Q6W5P4 2/20 0.39
PDE10A Q9Y233 9/20 0.39
KDM4E B2RXH2 3/20 0.35
ALDH1A1 P00352 3/20 0.35
HPGD P15428 3/20 0.35
HSD17B10 Q99714 2/20 0.35
PKM P14618 1/20 0.35
PDE4D Q08499 4/20 0.33
CHRM3 P20309 3/20 0.33
PDE4A P27815 3/20 0.33
PDE4B Q07343 3/20 0.33
PDE4C Q08493 3/20 0.33
ATM Q13315 1/20 0.33
TSHR P16473 1/20 0.32
MAPK1 P28482 1/20 0.32
SLC6A3 Q01959 1/20 0.31

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
SCHEMBL719721 0.84 PDE10A (0.41) MEN1GAAKMT2ANPSR1PDE10A
SCHEMBL720293 0.81 MEN1 (0.35) MEN1GAAKMT2ANPSR1KDM4E
SCHEMBL10252045 0.79 PDE10A (0.50) MEN1GAAKMT2ANPSR1PDE10A
SCHEMBL1609450 0.72 TUBB4A (0.42) MEN1GAAKMT2ANPSR1PDE10A
SCHEMBL718159 0.72 PDE10A (0.47) NPSR1PDE10APDE4DTSHRMAPK1
SCHEMBL1609761 0.71 RXRA (0.36) MEN1GAAKMT2APDE10AKDM4E
SCHEMBL1610086 0.71 PDE10A (0.34) MEN1GAAKMT2APDE10A
SCHEMBL1609145 0.71 TUBB4A (0.43) GAAKDM4EALDH1A1HPGDHSD17B10
SCHEMBL1609421 0.70 PDE10A (0.43) MEN1GAAKMT2ANPSR1PDE10A
SCHEMBL1609477 0.70 PDE10A (0.34) MEN1GAAKMT2ANPSR1PDE10A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120053053-A1 PYRIMIDINE DERIVATIVES AND THEIR USE AS HERBICIDES SYNGENTA CROP PROTECTION, LLC (US) 2012-03-01 US disclosed
US-20120053053-A1 PYRIMIDINE DERIVATIVES AND THEIR USE AS HERBICIDES SYNGENTA CROP PROTECTION, LLC (US) 2012-03-01 US disclosed
WO-2010092339-A1 PYRIMIDINE DERIVATIVES AND THEIR USE AS HERBICIDES SYNGENTA LIMITED (GB) 2010-08-19 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-20120053053-A1 PYRIMIDINE DERIVATIVES AND THEIR USE AS HERBICIDES DPYD, DHODH, TYMP MEN1 4540/4885GAA 993/4885KMT2A 2226/4885

“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.