SCHEMBL1610828

SCHEMBL1610828

COC(=O)c1nc(C2CC2)nc(NC(C)c2ccc(Br)cc2)c1Cl

nearest known ligand 0.48

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 2/20 0.48
POLB P06746 1/20 0.39
PDE2A O00408 1/20 0.34
ALDH1A1 P00352 2/20 0.34
KDM4E B2RXH2 1/20 0.34
HPGD P15428 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
PRCP P42785 2/20 0.34
IDH1 O75874 3/20 0.33
NTRK1 P04629 2/20 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
SCHEMBL1609803 0.91 PDE10A (0.50) PDE10APDE2AALDH1A1KDM4EHPGD
SCHEMBL12712859 0.90 PDE10A (0.52) PDE10APDE2APRCPNTRK1
SCHEMBL12712873 0.90 PDE10A (0.52) PDE10APDE2APRCPNTRK1
SCHEMBL1610839 0.89 PDE10A (0.48) PDE10APDE2AIDH1
SCHEMBL1610335 0.89 PDE10A (0.48) PDE10ANTRK1
SCHEMBL1610842 0.89 PDE10A (0.48) PDE10APDE2AIDH1
SCHEMBL1610170 0.89 PDE10A (0.50) PDE10AALDH1A1KDM4EHPGDIDH1
SCHEMBL1610091 0.85 P2RX3 (0.46) PDE10APDE2A
SCHEMBL1608767 0.83 PDE10A (0.43) PDE10APDE2ASMN1; SMN2
SCHEMBL12712871 0.82 PDE10A (0.46) 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 4 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
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 1704/4885POLB 915/4885PDE2A 1196/4885

“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.