SCHEMBL4599238

SCHEMBL4599238

COC(=O)c1cc2cc(Br)ccc2n1C(=O)OC(C)(C)C

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.43
PTGS2 P35354 2/20 0.42
USP30 Q70CQ3 1/20 0.42
KRAS P01116 1/20 0.41
NR1H2 P55055 13/20 0.40
CCNB2 O95067 1/20 0.40
CDK1 P06493 1/20 0.40
CCNB1 P14635 1/20 0.40
GSK3B P49841 1/20 0.40
CCNB3 Q8WWL7 1/20 0.40
NR1H3 Q13133 2/20 0.38

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
SCHEMBL30071461 0.90 USP30 (0.49) L3MBTL1PTGS2USP30NR1H2CCNB2
SCHEMBL3371321 0.90 USP30 (0.49) L3MBTL1PTGS2USP30NR1H2CCNB2
SCHEMBL22529438 0.87 MCL1 (0.47) MCL1USP30NR1H2CCNB2CDK1
SCHEMBL1565970 0.87 MCL1 (0.57) MCL1USP30NR1H2CCNB2CDK1
SCHEMBL1313682 0.86 NOD2 (0.45) MCL1USP30NR1H2CCNB2CDK1
SCHEMBL29631943 0.86 L3MBTL1 (0.60) L3MBTL1PTGS2NR1H2
SCHEMBL30597746 0.86 L3MBTL1 (0.44) L3MBTL1PTGS2NR1H2
SCHEMBL29631941 0.86 MAPT (0.46) L3MBTL1PTGS2NR1H2
SCHEMBL19013038 0.86 MAPT (0.46) L3MBTL1PTGS2NR1H2
SCHEMBL19013605 0.86 L3MBTL1 (0.60) L3MBTL1PTGS2NR1H2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4680247-A1 DPP1 INHIBITORS WITH POLYCYCLIC LINKERS AND USES THEREOF Insmed Incorporated (US) 2026-01-21 EP disclosed
US-12187728-B2 Caffeine inhibitors of MTHFD2 and uses thereof RAZE THERAPEUTICS, INC. (US) 2025-01-07 US disclosed
WO-2024192416-A1 DPP1 INHIBITORS WITH POLYCYCLIC LINKERS AND USES THEREOF INSMED INCORPORATED (US) 2024-09-19 WO disclosed
US-20230067237-A1 CAFFEINE INHIBITORS OF MTHFD2 AND USES THEREOF RAZE THERAPEUTICS, INC. 2023-03-02 US disclosed
US-11370792-B2 Caffeine inhibitors of MTHFD2 and uses thereof RAZE THERAPEUTICS, INC. (US) 2022-06-28 US disclosed
US-20180370972-A1 CAFFEINE INHIBITORS OF MTHFD2 AND USES THEREOF RAZE THERAPEUTICS, INC. 2018-12-27 US disclosed
WO-2017106352-A1 CAFFEINE INHIBITORS OF MTHFD2 AND USES THEREOF RAZE THERAPEUTICS, INC. (US) 2017-06-22 WO disclosed
EP-1556034-B1 INDOLE DERIVATIVES AS BETA-2 AGONISTS PFIZER LTD (GB) 2008-04-16 EP disclosed
EP-1556034-B1 INDOLE DERIVATIVES AS BETA-2 AGONISTS PFIZER LTD (GB) 2008-04-16 EP disclosed
US-7183294-B2 Indole derivatives useful for the treatment of diseases PFIZER INC. (US) 2007-02-27 US disclosed
US-7183294-B2 Indole derivatives useful for the treatment of diseases PFIZER INC. (US) 2007-02-27 US disclosed
US-7183294-B2 Indole derivatives useful for the treatment of diseases PFIZER INC. (US) 2007-02-27 US disclosed
US-7138527-B2 Inflammatory, allergic and respiratory disorders; beta 2 adrenoceptors agonists; such as 5-(-2-((-2-hydroxy-2-(4-hydroxy-3-(hydroxymethyl)phenyl)ethyl)amino)propyl) -N-(2-methoxybenzyl)-1H-indole-2-carboxamide PFIZER INC. (US) 2006-11-21 US disclosed
WO-2005092841-A1 COMPOUNDS HAVING BETA-AGONIST ACTIVITY PFIZER LIMITED (GB) 2005-10-06 WO disclosed
US-20050085526-A1 Indole derivatives useful for the treatment of diseases BROWN ALAN D (GB) 2005-04-21 US disclosed
US-6844362-B2 Indole derivatives useful for the treatment of diseases PFIZER INC (US) 2005-01-18 US disclosed
US-20040235833-A1 Indole derivatives useful for the treatment of diseases PFIZER INC 2004-11-25 US disclosed
EP-1440966-A1 Indole derivatives useful for the treatment of diseases Pfizer Limited (GB) 2004-07-28 EP disclosed
US-20040116503-A1 Indole derivatives useful for the treatment of diseases PFIZER INC. 2004-06-17 US disclosed
EP-1407769-A1 Indole derivatives as beta-2 agonists Pfizer Limited (GB) 2004-04-14 EP 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-12187728-B2 Caffeine inhibitors of MTHFD2 and uses thereof MTHFD2, MTHFD1, NUDT15 MCL1 3561/4885L3MBTL1 2685/4885PTGS2 1332/4885
US-20050085526-A1 Indole derivatives useful for the treatment of diseases IDO1, IDO2, INMT MCL1 2646/4885L3MBTL1 3758/4885PTGS2 102/4885
US-11370792-B2 Caffeine inhibitors of MTHFD2 and uses thereof MTHFD2, MTHFD1, NUDT15 MCL1 3561/4885L3MBTL1 2685/4885PTGS2 1332/4885
US-20230067237-A1 CAFFEINE INHIBITORS OF MTHFD2 AND USES THEREOF MTHFD2, MTHFD1, NUDT15 MCL1 3561/4885L3MBTL1 2685/4885PTGS2 1332/4885
US-20180370972-A1 CAFFEINE INHIBITORS OF MTHFD2 AND USES THEREOF MTHFD2, MTHFD1, NUDT15 MCL1 3561/4885L3MBTL1 2685/4885PTGS2 1332/4885
US-20040235833-A1 Indole derivatives useful for the treatment of diseases IDO1, IDO2, INMT MCL1 2646/4885L3MBTL1 3758/4885PTGS2 102/4885

“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.