SCHEMBL25209529

SCHEMBL25209529

N#Cc1[nH]ccc2cccc1-2

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 1/20 0.34
BRD4 O60885 2/20 0.33
ESR2 Q92731 1/20 0.33
ADRA2C P18825 1/20 0.33
LRRK2 Q5S007 2/20 0.33
ADORA2A P29274 1/20 0.33
MAPT P10636 1/20 0.32
EGFR P00533 1/20 0.32
IDO1 P14902 2/20 0.32
ATM Q13315 1/20 0.32
MCL1 Q07820 2/20 0.31
NOTUM Q6P988 1/20 0.31
ALDH1A1 P00352 2/20 0.31
HPGD P15428 2/20 0.31
DYRK1A Q13627 2/20 0.31
KDM4E B2RXH2 1/20 0.31
GALR3 O60755 1/20 0.31
GAA P10253 1/20 0.31
IKBKB O14920 1/20 0.31
CHUK O15111 1/20 0.31

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
SCHEMBL9224302 0.76 LRRK2 (0.42) LRRK2ADORA2AMCL1ALDH1A1HPGD
SCHEMBL10333131 0.71 LRRK2 (0.43) LRRK2ADORA2AALDH1A1HPGDDYRK1A
SCHEMBL29919272 0.67 ALDH1A1 (0.41) PIK3CDLRRK2MAPTNOTUMALDH1A1
SCHEMBL2787313 0.66
SCHEMBL17185621 0.64
SCHEMBL827234 0.64
SCHEMBL27977648 0.64
SCHEMBL438580 0.64
SCHEMBL5175382 0.64
SCHEMBL480061 0.64

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4126855-B1 COMPOUNDS AND THEIR USE IN THE TREATMENT OF BACTERIAL INFECTIONS HOFFMANN LA ROCHE (CH) 2024-04-24 EP claimed
US-20230167127-A1 COMPOUNDS AND THEIR USE IN THE TREATMENT OF BACTERIAL INFECTION HOFFMANN-LA ROCHE INC. (US) 2023-06-01 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-20230167127-A1 COMPOUNDS AND THEIR USE IN THE TREATMENT OF BACTERIAL INFECTION LTB4R, C5, C3AR1 PIK3CD 3170/4885BRD4 355/4885ESR2 555/4885

“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.