SCHEMBL720187

SCHEMBL720187

CC=Cc1c(N)nc(C2CC2)nc1C(=O)OC

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.36
PDE10A Q9Y233 1/20 0.35
MEN1 O00255 1/20 0.31
GAA P10253 1/20 0.31
KMT2A Q03164 1/20 0.31
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
PKM P14618 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
PDE4D Q08499 1/20 0.30
TSHR P16473 1/20 0.30
MAPK1 P28482 1/20 0.30

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
SCHEMBL721806 1.00 NPSR1 (0.36) NPSR1PDE10AMEN1GAAKMT2A
SCHEMBL720186 1.00 NPSR1 (0.36) NPSR1PDE10AMEN1GAAKMT2A
SCHEMBL717763 0.87 NPSR1 (0.34) NPSR1PDE10A
SCHEMBL717764 0.87 NPSR1 (0.34) NPSR1PDE10A
SCHEMBL721626 0.85 NPSR1 (0.37) NPSR1PDE10AMEN1GAAKMT2A
SCHEMBL720488 0.84 NPSR1 (0.36) NPSR1PDE10AMEN1GAAKMT2A
SCHEMBL721037 0.84 NPSR1 (0.32) NPSR1PDE10A
SCHEMBL721036 0.84 NPSR1 (0.32) NPSR1PDE10A
SCHEMBL10252045 0.79 PDE10A (0.50) NPSR1PDE10AMEN1GAAKMT2A
SCHEMBL1535575 0.79 NPSR1 (0.41) NPSR1PDE10AMEN1GAAKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120115724-A1 METHOD OF CONTROLLING UNDESIRED VEGETATION SYNGENTA CROP PROTECTION LLC (US) 2012-05-10 US disclosed
US-20120053053-A1 PYRIMIDINE DERIVATIVES AND THEIR USE AS HERBICIDES SYNGENTA CROP PROTECTION, LLC (US) 2012-03-01 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 (2 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 NPSR1 3040/4885PDE10A 1953/4885MEN1 4540/4885
US-20120115724-A1 METHOD OF CONTROLLING UNDESIRED VEGETATION TYMS, DHFR, UNG NPSR1 1800/4885PDE10A 2162/4885MEN1 4635/4885

“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.