SCHEMBL32688414

SCHEMBL32688414

N#Cc1c(SCc2nnn[nH]2)[nH]c(=O)c(C#N)c1-c1ccc(-c2cccnc2)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DHODH Q02127 1/20 0.40
▸ PDE10A Q9Y233 1/20 0.40
▸ PIM1 P11309 1/20 0.38
▸ KDM4E B2RXH2 1/20 0.38
▸ GLA P06280 1/20 0.38
▸ GAA P10253 1/20 0.38
▸ ATM Q13315 1/20 0.38
▸ PDE9A O76083 2/20 0.38
▸ ADORA1 P30542 2/20 0.37
▸ CYP11B2 P19099 1/20 0.37
▸ MET P08581 1/20 0.36
▸ KDR P35968 1/20 0.36
▸ HSD11B1 P28845 6/20 0.36
▸ CA12 O43570 1/20 0.34
▸ CA1 P00915 1/20 0.34
▸ CA2 P00918 1/20 0.34
▸ CA9 Q16790 1/20 0.34
▸ ADORA3 P0DMS8 1/20 0.34
▸ ADORA2A P29274 1/20 0.34
▸ ADORA2B P29275 1/20 0.34

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
SCHEMBL32688008 0.90 MEN1 (0.42) PDE9AADORA1HSD11B1ADORA3ADORA2A
SCHEMBL32688269 0.86 HSD11B1 (0.45) PIM1KDM4EGLAGAAATM
SCHEMBL32688166 0.86 HSD11B1 (0.41) PDE9AADORA1HSD11B1ADORA2BHSD11B2
SCHEMBL32688133 0.85 HSD11B1 (0.39) PDE9AADORA1HSD11B1ADORA3ADORA2A
SCHEMBL32688034 0.85 PDE9A (0.43) KDM4EPDE9AADORA1
SCHEMBL32688160 0.85 HSD11B1 (0.36) ADORA1HSD11B1ADORA3ADORA2AADORA2B
SCHEMBL32688201 0.84 HSD11B1 (0.36) PDE9AHSD11B1HSD11B2IDO1
SCHEMBL32688370 0.83 POLB (0.41) PDE9AHSD11B1HSD11B2
SCHEMBL32688432 0.83 ADORA1 (0.40) PDE9AADORA1HSD11B1CA12CA1
SCHEMBL32687990 0.83 ADORA1 (0.44) PIM1KDM4EGLAGAAADORA1

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-20260078105-A1 Novel Aminocarboxymuconate Semialdehyde Decarboxylase Inhibitors ORSOBIO INC (US) 2026-03-19 — — 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-20260078105-A1 Novel Aminocarboxymuconate Semialdehyde Decarboxylase Inhibitors CPT1B, CBR1, MUSK DHODH 476/4885PDE10A 3084/4885PIM1 4867/4885

“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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