SCHEMBL31085083

SCHEMBL31085083

Cn1c(COCc2ccccc2)nc2c(O)nc(=O)n(C)c21

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.38
MAOA P21397 2/20 0.37
MAOB P27338 2/20 0.37
KDM4E B2RXH2 3/20 0.36
L3MBTL1 Q9Y468 3/20 0.36
ALDH1A1 P00352 4/20 0.36
PKM P14618 2/20 0.36
MAPK1 P28482 2/20 0.36
TP53 P04637 2/20 0.36
MAPT P10636 2/20 0.36
RAB9A P51151 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
TDP1 Q9NUW8 2/20 0.36
NPC1 O15118 1/20 0.36
LMNA P02545 1/20 0.36
POLB P06746 1/20 0.36
HTT P42858 1/20 0.36
DAO P14920 1/20 0.35
VCP P55072 1/20 0.35
CYP1A2 P05177 2/20 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
SCHEMBL31085053 0.88 ADORA1 (0.37) TSHRMAOAMAOBKDM4EL3MBTL1
SCHEMBL31085183 0.88 MAOA (0.36) TSHRMAOAMAOBKDM4EL3MBTL1
SCHEMBL31085162 0.84 MAOA (0.36) TSHRMAOAMAOBKDM4EL3MBTL1
SCHEMBL31085266 0.81 TSHR (0.36) TSHRKDM4EL3MBTL1ALDH1A1MAPK1
SCHEMBL2513747 0.67 TSHR (0.47) TSHRMAOAMAOBL3MBTL1ALDH1A1
SCHEMBL31085104 0.66 ALDH1A1 (0.46) TSHRKDM4EALDH1A1MAPK1TP53
SCHEMBL20793061 0.65 MAOB (0.63) TSHRMAOAMAOBL3MBTL1ALDH1A1
SCHEMBL31085163 0.65 MAPK1 (0.40) TSHRALDH1A1MAPK1TP53MAPT
SCHEMBL31085270 0.64 MAPK1 (0.46) TSHRMAOAMAOBKDM4EALDH1A1
SCHEMBL28301231 0.63 TSHR (0.83) TSHRKDM4EL3MBTL1ALDH1A1MAPK1

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-20260125378-A2 Heterocyclic Compounds BEONE MEDICINES I GMBH (CH) 2026-05-07 US disclosed
EP-4658650-A1 HETEROCYCLIC COMPOUNDS Beone Medicines I GmbH (CH) 2025-12-10 EP disclosed
US-20250353846-A1 Heterocyclic Compounds BEONE MEDICINES I GMBH (CH) 2025-11-20 US disclosed
WO-2024160277-A1 HETEROCYCLIC COMPOUNDS BEIGENE, LTD. (KY) 2024-08-08 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 (2 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-20260125378-A2 Heterocyclic Compounds NFATC1, CD4, MALT1 TSHR 362/4885MAOA 2893/4885MAOB 2174/4885
US-20250353846-A1 Heterocyclic Compounds NFATC1, CD4, ACIN1 TSHR 3470/4885MAOA 2511/4885MAOB 3044/4885

“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.