SCHEMBL31085183

SCHEMBL31085183

CCn1c(COCc2ccccc2)nc2c(O)nc(=O)n(C)c21

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 2/20 0.36
MAOB P27338 2/20 0.36
PKM P14618 1/20 0.36
ADORA1 P30542 1/20 0.35
FBP1 P09467 1/20 0.35
L3MBTL1 Q9Y468 3/20 0.34
TSHR P16473 2/20 0.34
KDM4E B2RXH2 2/20 0.34
MAPK1 P28482 2/20 0.34
USP2 O75604 1/20 0.34
HDAC1 Q13547 1/20 0.34
HDAC8 Q9BY41 1/20 0.34
NPC1 O15118 1/20 0.33
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
TP53 P04637 1/20 0.33
POLB P06746 1/20 0.33
MAPT P10636 1/20 0.33
HTT P42858 1/20 0.33
RAB9A P51151 1/20 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
SCHEMBL31085053 0.91 ADORA1 (0.37) MAOAMAOBPKMADORA1FBP1
SCHEMBL31085266 0.91 TSHR (0.36) ADORA1FBP1L3MBTL1TSHRKDM4E
SCHEMBL31085083 0.88 TSHR (0.38) MAOAMAOBPKMFBP1L3MBTL1
SCHEMBL31085162 0.87 MAOA (0.36) MAOAMAOBPKMFBP1L3MBTL1
SCHEMBL31085126 0.76 MEN1 (0.32) L3MBTL1
SCHEMBL31085161 0.75
SCHEMBL31085104 0.72 ALDH1A1 (0.46) ADORA1TSHRKDM4EMAPK1USP2
SCHEMBL31085270 0.68 MAPK1 (0.46) MAOAMAOBTSHRKDM4EMAPK1
SCHEMBL22322658 0.66 KMT2A (0.44) L3MBTL1TSHRNPC1ALDH1A1LMNA
SCHEMBL17895924 0.65 AGTR1 (0.43) TSHRKDM4EALDH1A1

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 MAOA 2893/4885MAOB 2174/4885PKM 3859/4885
US-20250353846-A1 Heterocyclic Compounds NFATC1, CD4, ACIN1 MAOA 2511/4885MAOB 3044/4885PKM 3672/4885

“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.