Sugi Predict

Sugi Predict / Compounds / SCHEMBL3305733

SCHEMBL3305733

SCHEMBL3305733

O=C(O)c1cn2cccc(Br)c2n1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTGS1 P23219 1/20 0.56
▸ PTGS2 P35354 1/20 0.56
▸ RXFP1 Q9HBX9 1/20 0.50
▸ DHODH Q02127 1/20 0.44
▸ KDM4E B2RXH2 3/20 0.39
▸ TSHR P16473 2/20 0.39
▸ TDP1 Q9NUW8 2/20 0.39
▸ ALOX15 P16050 1/20 0.39
▸ ACMSD Q8TDX5 1/20 0.39
▸ NPC1 O15118 3/20 0.38
▸ RAB9A P51151 3/20 0.38
▸ MAPT P10636 2/20 0.36
▸ CYP1A2 P05177 1/20 0.36
▸ CYP3A4 P08684 1/20 0.36
▸ CREBBP Q92793 1/20 0.36
▸ ALDH1A2 O94788 2/20 0.36
▸ ALDH1A3 P47895 2/20 0.36
▸ ALDH1A1 P00352 4/20 0.35
▸ TP53 P04637 1/20 0.35
▸ HPGD P15428 1/20 0.35

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
SCHEMBL18340813 0.85 GRM2 (0.39) PTGS1PTGS2RXFP1DHODHTDP1
SCHEMBL12306367 0.85 PTGS1 (0.39) PTGS1PTGS2RXFP1DHODHKDM4E
SCHEMBL30556624 0.81 PTGS1 (0.54) PTGS1PTGS2RXFP1DHODHKDM4E
SCHEMBL8373781 0.81 PTGS1 (0.54) PTGS1PTGS2RXFP1DHODHKDM4E
SCHEMBL19660422 0.81 PTGS1 (0.54) PTGS1PTGS2RXFP1DHODHKDM4E
SCHEMBL31211453 0.81 PTGS1 (0.54) PTGS1PTGS2RXFP1DHODHKDM4E
SCHEMBL1758978 0.81 RXFP1 (0.56) PTGS1PTGS2RXFP1KDM4ETSHR
SCHEMBL7932606 0.81 PTGS1 (0.36) PTGS1PTGS2RXFP1DHODHKDM4E
SCHEMBL2505187 0.79 PTGS1 (0.51) PTGS1PTGS2RXFP1DHODHKDM4E
SCHEMBL10022660 0.79 PTGS1 (0.51) PTGS1PTGS2RXFP1DHODHKDM4E

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 31 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4213843-B1 MODIFIED IMIDAZOPYRIDINES AS GLUCOSYLCERAMIDE SYNTHASE INHIBITORS MERCK SHARP & DOHME LLC (US) 2026-05-06 — — EP disclosed
US-12559491-B2 Modified imidazopyridines as glucosylceramide synthase inhibitors MERCK SHARP & DOHME LLC (US) 2026-02-24 — — US disclosed
US-20240018140-A1 MODIFIED IMIDAZOPYRIDINES AS GLUCOSYLCERAMIDE SYNTHASE INHIBITORS MERCK SHARP & DOHME LLC (US) 2024-01-18 — — US disclosed
US-20240018140-A1 MODIFIED IMIDAZOPYRIDINES AS GLUCOSYLCERAMIDE SYNTHASE INHIBITORS MERCK SHARP & DOHME LLC (US) 2024-01-18 — — US disclosed
US-20240018140-A1 MODIFIED IMIDAZOPYRIDINES AS GLUCOSYLCERAMIDE SYNTHASE INHIBITORS MERCK SHARP & DOHME LLC (US) 2024-01-18 — — US disclosed
EP-4213843-A2 MODIFIED IMIDAZOPYRIDINES AS GLUCOSYLCERAMIDE SYNTHASE INHIBITORS Merck Sharp & Dohme LLC (US) 2023-07-26 — — EP disclosed
EP-3313828-B1 METALLO-BETA-LACTAMASE INHIBITORS MERCK SHARP & DOHME LLC (US) 2023-07-12 — — EP disclosed
WO-2022060763-A2 MODIFIED IMIDAZOPYRIDINES AS GLUCOSYLCERAMIDE SYNTHASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2022-03-24 — — WO disclosed
WO-2022060763-A2 MODIFIED IMIDAZOPYRIDINES AS GLUCOSYLCERAMIDE SYNTHASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2022-03-24 — — WO disclosed
US-10227331-B2 Metallo-β-lactamase inhibitors MERCK SHARP & DOHME CORP. (US) 2019-03-12 — — US disclosed
US-8546440-B2 Substituted bicyclic imidazole derivatives as gamma secretase modulators Janssen Pharmaceuticals, Inc. (US) 2013-10-01 — — US disclosed
US-20110237580-A1 SUBSTITUTED BICYCLIC IMIDAZOLE DERIVATIVES AS GAMMA SECRETASE MODULATORS Janssen Pharmaceuticals, Inc. 2011-09-29 — — US disclosed
US-20110237580-A1 SUBSTITUTED BICYCLIC IMIDAZOLE DERIVATIVES AS GAMMA SECRETASE MODULATORS Janssen Pharmaceuticals, Inc. 2011-09-29 — — US disclosed
US-20100298314-A1 NOVEL JNK INHIBITORS SCHERING CORPORATION 2010-11-25 — — US disclosed
US-20100298314-A1 NOVEL JNK INHIBITORS SCHERING CORPORATION 2010-11-25 — — US disclosed
US-20100099695-A1 HCV NS3 Protease Inhibitors MSD ITALIA S.R.L. (IT) 2010-04-22 — — US disclosed
US-20100099695-A1 HCV NS3 Protease Inhibitors MSD ITALIA S.R.L. (IT) 2010-04-22 — — US disclosed
US-20100099695-A1 HCV NS3 Protease Inhibitors MSD ITALIA S.R.L. (IT) 2010-04-22 — — US disclosed
WO-2008082490-A2 NOVEL JNK INHIBITORS SCHERING CORPORATION (US) 2008-07-10 — — WO disclosed
WO-2008057209-A1 HCV NS3 PROTEASE INHIBITORS MERCK & CO., INC. (US) 2008-05-15 — — 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 (6 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-20100099695-A1 HCV NS3 Protease Inhibitors HAVCR2, GTF3C3, CTSC PTGS1 1028/4885PTGS2 1763/4885RXFP1 4217/4885
US-12559491-B2 Modified imidazopyridines as glucosylceramide synthase inhibitors GBA1, GBA2, GALC PTGS1 1677/4885PTGS2 2417/4885RXFP1 4090/4885
US-20110237580-A1 SUBSTITUTED BICYCLIC IMIDAZOLE DERIVATIVES AS GAMMA SECRETASE MODULATORS BACE1, BACE2, PSEN1 PTGS1 623/4885PTGS2 1440/4885RXFP1 3847/4885
US-10227331-B2 Metallo-β-lactamase inhibitors ALPI, GAA, ZFX PTGS1 1935/4885PTGS2 2826/4885RXFP1 746/4885
US-20100298314-A1 NOVEL JNK INHIBITORS MAPK1, MAPKAPK2, MAP4K2 PTGS1 748/4885PTGS2 1425/4885RXFP1 4556/4885
US-20240018140-A1 MODIFIED IMIDAZOPYRIDINES AS GLUCOSYLCERAMIDE SYNTHASE INHIBITORS GBA1, GBA2, GAA PTGS1 1226/4885PTGS2 1528/4885RXFP1 4448/4885

“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.