SCHEMBL30809704

SCHEMBL30809704

O=c1[nH]c2ccncc2n2cccc12

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 15/20 0.65
TP53 P04637 1/20 0.51
DAO P14920 2/20 0.49
PDE3B Q13370 1/20 0.41
PDE3A Q14432 1/20 0.41
ALDH1A1 P00352 1/20 0.40
RXFP1 Q9HBX9 1/20 0.40
CDC7 O00311 1/20 0.40
PLK4 O00444 1/20 0.40
AURKA O14965 1/20 0.40
MAPK13 O15264 1/20 0.40
PDPK1 O15530 1/20 0.40
DYRK3 O43781 1/20 0.40
PRKD3 O94806 1/20 0.40
MAP4K4 O95819 1/20 0.40
PAK4 O96013 1/20 0.40
ERBB2 P04626 1/20 0.40
NTRK1 P04629 1/20 0.40
PRKCG P05129 1/20 0.40
FYN P06241 1/20 0.40

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
SCHEMBL24098812 1.00 PARP1 (0.65) PARP1TP53DAOPDE3BPDE3A
SCHEMBL30363048 0.90 PARP1 (0.54) PARP1TP53DAOPDE3BPDE3A
SCHEMBL30363017 0.87 PARP1 (0.65) PARP1TP53DAOALDH1A1RXFP1
SCHEMBL9106684 0.87 PARP1 (0.65) PARP1TP53DAOALDH1A1RXFP1
SCHEMBL1133601 0.79 PARP1 (1.00) PARP1TP53DAOALDH1A1RXFP1
SCHEMBL29673205 0.79 PARP1 (1.00) PARP1TP53DAOALDH1A1RXFP1
SCHEMBL31492151 0.73 PARP1 (0.50) PARP1TP53DAOCDC7PLK4
SCHEMBL30809703 0.71 PDE2A (0.67) PARP1TP53DAOPDE3BPDE3A
SCHEMBL8566230 0.71 PDE2A (0.67) PARP1TP53DAOPDE3BPDE3A
SCHEMBL2429766 0.71 PARP1 (0.65) PARP1TP53DAOCDC7PLK4

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-12551580-B2 Heterocyclic compounds and imaging agents for imaging Huntington protein CHDI FOUNDATION, INC. (US) 2026-02-17 US disclosed
US-20240342317-A1 HETEROCYCLIC COMPOUNDS AND IMAGING AGENTS FOR IMAGING HUNTINGTIN PROTEIN CHDI FOUNDATION, INC. 2024-10-17 US disclosed
US-11918662-B2 Heterocyclic compounds and imaging agents for imaging huntingtin protein CHDI FOUNDATION, INC. (US) 2024-03-05 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 (3 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-11918662-B2 Heterocyclic compounds and imaging agents for imaging huntingtin protein HTT, HYPK, HSPBP1 PARP1 3115/4885TP53 142/4885DAO 3407/4885
US-12551580-B2 Heterocyclic compounds and imaging agents for imaging Huntington protein HTT, HYPK, HIRA PARP1 4072/4885TP53 1666/4885DAO 1082/4885
US-20240342317-A1 HETEROCYCLIC COMPOUNDS AND IMAGING AGENTS FOR IMAGING HUNTINGTIN PROTEIN HTT, HYPK, HSPBP1 PARP1 3115/4885TP53 142/4885DAO 3407/4885

“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.