SCHEMBL1609288

SCHEMBL1609288

COC(=O)c1nc(Cl)nc(NC2CC2)c1Cl

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.40
CYP2C9 P11712 1/20 0.40
NPR3 P17342 1/20 0.40
CYP2C19 P33261 1/20 0.40
EHMT2 Q96KQ7 1/20 0.37
LRRK2 Q5S007 1/20 0.37
ADORA3 P0DMS8 9/20 0.35
ADORA1 P30542 5/20 0.35
ADORA2A P29274 4/20 0.35
ROCK2 O75116 1/20 0.34
ROCK1 Q13464 1/20 0.34
PDE10A Q9Y233 1/20 0.33
MAPK8 P45983 1/20 0.33
KMT2A Q03164 1/20 0.33

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
SCHEMBL1610047 0.84 PDE10A (0.49) PDE10A
SCHEMBL1749359 0.80 MAPK8 (0.43) NPSR1CYP2C9NPR3CYP2C19LRRK2
SCHEMBL1749360 0.80 MAPK8 (0.43) NPSR1CYP2C9NPR3CYP2C19LRRK2
SCHEMBL1610275 0.79 PDE10A (0.57) PDE10A
SCHEMBL1610199 0.79 PDE10A (0.53) PDE10A
SCHEMBL1610447 0.79 KDM4E (0.43) NPSR1ADORA3ADORA1ADORA2A
SCHEMBL1610242 0.78 PTGER4 (0.38) NPSR1CYP2C9LRRK2ADORA3ADORA1
SCHEMBL1609810 0.78 PDE10A (0.56) EHMT2PDE10A
SCHEMBL29173624 0.78 PLAU (0.41) NPSR1CYP2C9NPR3CYP2C19LRRK2
SCHEMBL4235637 0.77 LRRK2 (0.47) NPSR1LRRK2ADORA3ADORA1

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-20110086759-A1 CHEMICAL COMPOUNDS SYNGENTA CROP PROTECTION, INC. (US) 2011-04-14 US disclosed
US-20110086759-A1 CHEMICAL COMPOUNDS SYNGENTA CROP PROTECTION, INC. (US) 2011-04-14 US disclosed
US-20110086759-A1 CHEMICAL COMPOUNDS SYNGENTA CROP PROTECTION, INC. (US) 2011-04-14 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-20110086759-A1 CHEMICAL COMPOUNDS DDT, PNPO, CBR3 NPSR1 2070/4885CYP2C9 208/4885NPR3 950/4885

“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.