SCHEMBL24386972

SCHEMBL24386972

Cc1c(Br)nc(Br)c2ncnn12

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.36
ENPP1 P22413 1/20 0.33
EGLN2 Q96KS0 1/20 0.31
HSD17B10 Q99714 2/20 0.30
ATM Q13315 1/20 0.30
KDM4E B2RXH2 3/20 0.30
MAPK1 P28482 2/20 0.30
PKM P14618 1/20 0.30
HPGD P15428 1/20 0.30
TSHR P16473 1/20 0.30
MAPT P10636 1/20 0.30
LMNA P02545 1/20 0.30
CYP1A2 P05177 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30
ADORA2A P29274 1/20 0.30
ADORA2B P29275 1/20 0.30
ADORA1 P30542 1/20 0.30

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
SCHEMBL31291456 0.72 LMNA (0.32) EGLN2TSHRLMNA
SCHEMBL31291361 0.72 TP53 (0.34) ALDH1A1KDM4EHPGD
SCHEMBL24284142 0.71 ALDH1A1 (0.38) ALDH1A1ENPP1EGLN2HSD17B10KDM4E
SCHEMBL19761056 0.71 EGLN2 (0.36) ALDH1A1ENPP1EGLN2KDM4EPKM
SCHEMBL23030290 0.68 MAPK1 (0.38) ALDH1A1ENPP1EGLN2MAPK1TSHR
SCHEMBL31329862 0.68 ALDH1A1 (0.33) ALDH1A1ENPP1EGLN2KDM4E
SCHEMBL17430752 0.67 EGLN2 (0.42) ALDH1A1ENPP1EGLN2HSD17B10KDM4E
SCHEMBL24284140 0.67 MBOAT4 (0.36) ALDH1A1ENPP1EGLN2HSD17B10ADORA2A
SCHEMBL16848682 0.64 L3MBTL1 (0.38) ADORA2A
SCHEMBL31009759 0.64 ABL1 (0.34) ALDH1A1EGLN2MAPK1LMNACYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4719592-A1 BICYCLIC COMPOUNDS FOR KETOHEXOKINASE INHIBITION Centennial Therapeutics, LLC (US) 2026-04-08 EP disclosed
WO-2024249612-A1 BICYCLIC COMPOUNDS FOR KETOHEXOKINASE INHIBITION CENTENNIAL THERAPEUTICS, LLC (US) 2024-12-05 WO disclosed
US-20230391795-A1 MACROCYCLIC UREA OREXIN RECEPTOR AGONISTS MERCK SHARP & DOHME LLC (US) 2023-12-07 US disclosed
EP-4236938-A1 MACROCYCLIC UREA OREXIN RECEPTOR AGONISTS Merck Sharp & Dohme LLC (US) 2023-09-06 EP disclosed
CN-116600803-A Macrocyclic urea orexin receptor agonists 默沙东有限责任公司 2023-08-15 CN disclosed
WO-2022094012-A1 MACROCYCLIC UREA OREXIN RECEPTOR AGONISTS MERCK SHARP & DOHME CORP. (US) 2022-05-05 WO disclosed
WO-2022094012-A1 MACROCYCLIC UREA OREXIN RECEPTOR AGONISTS MERCK SHARP & DOHME CORP. (US) 2022-05-05 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 (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-20230391795-A1 MACROCYCLIC UREA OREXIN RECEPTOR AGONISTS HCRTR1, HCRTR2, CRHR1 ALDH1A1 2926/4885ENPP1 3835/4885EGLN2 761/4885

“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.