SCHEMBL1610087

SCHEMBL1610087

COC(=O)c1nc(C2CC2)nc(NCc2cnc(C)cn2)c1Cl

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 18/20 0.47
CYP3A4 P08684 3/20 0.39
CYP2D6 P10635 3/20 0.39
NR1I2 O75469 1/20 0.39
CYP1A2 P05177 2/20 0.38
CYP2C19 P33261 1/20 0.38
USP2 O75604 1/20 0.37
ALDH1A1 P00352 1/20 0.37
TSHR P16473 1/20 0.37
CLK4 Q9HAZ1 1/20 0.37

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
SCHEMBL12712903 0.85 PDE10A (0.67) PDE10ACYP3A4CYP2D6NR1I2
SCHEMBL1610743 0.82 KCNA5 (0.49) PDE10AALDH1A1
SCHEMBL1610084 0.81 PDE10A (0.56) PDE10ACYP3A4CYP2D6NR1I2ALDH1A1
SCHEMBL12712782 0.81 PDE10A (0.46) PDE10ACYP3A4CYP2D6NR1I2
SCHEMBL1609451 0.81 PDE10A (0.52) PDE10ACYP3A4CYP2D6NR1I2
SCHEMBL12712766 0.81 PDE10A (0.49) PDE10ACYP3A4CYP2D6NR1I2
SCHEMBL12712900 0.81 PDE10A (0.42) PDE10ACYP3A4CYP2D6NR1I2
SCHEMBL1609372 0.81 PDE10A (0.43) PDE10ACYP3A4CYP2D6NR1I2ALDH1A1
SCHEMBL1609687 0.79 PDE10A (0.45) PDE10ACYP3A4CYP2D6NR1I2ALDH1A1
SCHEMBL1609704 0.79 PDE10A (0.62) PDE10ACYP3A4CYP1A2CYP2C19ALDH1A1

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 PDE10A 1704/4885CYP3A4 286/4885CYP2D6 231/4885

“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.