SCHEMBL12738438

SCHEMBL12738438

O=Cc1nc(C2CC2)nc(NC(c2ccccc2)c2ccccc2)c1Cl

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDE10A Q9Y233 3/20 0.38
▸ OGG1 O15527 1/20 0.37
▸ PDE5A O76074 2/20 0.34
▸ S1PR3 Q99500 1/20 0.34
▸ IGF1R P08069 1/20 0.33
▸ CHRM3 P20309 1/20 0.32
▸ PDE4A P27815 1/20 0.32
▸ PDE4B Q07343 1/20 0.32
▸ PDE4C Q08493 1/20 0.32
▸ PDE4D Q08499 1/20 0.32
▸ LPAR2 Q9HBW0 2/20 0.31
▸ ACHE P22303 1/20 0.31
▸ CNR1 P21554 1/20 0.31
▸ MEN1 O00255 1/20 0.31
▸ KMT2A Q03164 1/20 0.31
▸ LMNA P02545 1/20 0.31
▸ TSHR P16473 1/20 0.31
▸ MAPK1 P28482 1/20 0.31
▸ CDK7 P50613 2/20 0.30
▸ CDK9 P50750 2/20 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
SCHEMBL12737587 0.88 PDE10A (0.50) PDE10AIGF1RMEN1KMT2ALMNA
SCHEMBL13769059 0.85 PDE10A (0.34) PDE10AOGG1CDK7CDK9
SCHEMBL11918081 0.85 PDE10A (0.34) PDE10AOGG1CDK7CDK9
SCHEMBL12737608 0.78 PDE10A (0.35) PDE10AOGG1CHRM3PDE4APDE4B
SCHEMBL1609362 0.76 PDE10A (0.40) PDE10AOGG1S1PR3LPAR2MEN1
SCHEMBL12712864 0.73 KMT2A (0.40) PDE10APDE4BPDE4DCNR1MEN1
SCHEMBL12738147 0.73 PDE10A (0.47) PDE10ACHRM3PDE4APDE4BPDE4C
SCHEMBL12738421 0.72 PDE10A (0.52) PDE10AOGG1CHRM3PDE4APDE4B
SCHEMBL12738185 0.72 PDE2A (0.35) PDE10A
SCHEMBL13769322 0.71 ROCK2 (0.36) PDE10APDE4BPDE4DMEN1KMT2A

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 1 patent. 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

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 1704/4885OGG1 56/4885PDE5A 1238/4885

“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.

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