SCHEMBL1609481

SCHEMBL1609481

COC(=O)c1nc(C2CC2)nc(NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c1Cl

nearest known ligand 0.41

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 14/20 0.41
CCR2 P41597 1/20 0.36
AURKA O14965 1/20 0.36
RPS6KB1 P23443 1/20 0.36
NR1I2 O75469 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 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
SCHEMBL1608975 0.94 PDE10A (0.39) PDE10ACYP3A4
SCHEMBL1609822 0.90 PDE10A (0.45) PDE10AAURKARPS6KB1CYP3A4CYP2D6
SCHEMBL1609710 0.90 PDE10A (0.47) PDE10AAURKARPS6KB1
SCHEMBL1610158 0.86 PDE10A (0.43) PDE10ANR1I2CYP3A4CYP2D6
SCHEMBL12712766 0.85 PDE10A (0.49) PDE10ANR1I2CYP3A4CYP2D6
SCHEMBL12712782 0.85 PDE10A (0.46) PDE10ANR1I2CYP3A4CYP2D6
SCHEMBL1609666 0.84 L3MBTL1 (0.40) PDE10ACYP3A4CYP2D6
SCHEMBL12737919 0.83 PDE10A (0.50) PDE10ACYP3A4
SCHEMBL12712783 0.83 PDE10A (0.43) PDE10ARPS6KB1NR1I2CYP3A4CYP2D6
SCHEMBL1610831 0.83 PDE10A (0.45) PDE10A

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
WO-2009081112-A2 CHEMICAL COMPOUNDS SYNGENTA LIMITED (GB) 2009-07-02 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-20110086759-A1 CHEMICAL COMPOUNDS DDT, PNPO, CBR3 PDE10A 1704/4885CCR2 4076/4885AURKA 1490/4885

“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.