SCHEMBL858552

SCHEMBL858552

Cn1ncc2cc(B3OC(C)(C)C(C)(C)O3)ccc21

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
IRAK4 Q9NWZ3 1/20 0.50
TRPA1 O75762 1/20 0.41
LPL P06858 10/20 0.40
LIPG Q9Y5X9 10/20 0.40
APP P05067 1/20 0.38
FFAR1 O14842 1/20 0.38
CTNNB1 P35222 1/20 0.36
TCF7 P36402 1/20 0.36
CDC7 O00311 1/20 0.36
TRPM5 Q9NZQ8 1/20 0.36
PDE1C Q14123 1/20 0.36
MAOB P27338 1/20 0.36

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
SCHEMBL29357103 1.00 IRAK4 (0.50) IRAK4TRPA1LPLLIPGAPP
SCHEMBL31387331 0.90 IRAK4 (0.47) IRAK4TRPA1LPLLIPGFFAR1
SCHEMBL16321466 0.89 LIPG (0.56) IRAK4TRPA1LPLLIPGAPP
SCHEMBL30130008 0.88 IRAK4 (0.60) IRAK4LPLLIPGFFAR1PDE1C
SCHEMBL15288113 0.88 IRAK4 (0.60) IRAK4LPLLIPGFFAR1PDE1C
SCHEMBL15333282 0.85 IRAK4 (0.46) IRAK4TRPA1LPLLIPGAPP
SCHEMBL2424027 0.81 IRAK4 (0.47) IRAK4LPLLIPGFFAR1
SCHEMBL30551179 0.81 IRAK4 (0.47) IRAK4LPLLIPGFFAR1
SCHEMBL15661436 0.81 IRAK4 (0.47) IRAK4LPLLIPGFFAR1
SCHEMBL15328953 0.81 IRAK4 (0.45) IRAK4LPLLIPGFFAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20260109696-A1 SMALL MOLECULE PROTEIN SYNTHESIS MODULATORS Interdict Bio, Inc. (US) 2026-04-23 US disclosed
US-20260078116-A1 SMALL MOLECULE PROTEIN SYNTHESIS MODULATORS Interdict Bio, Inc. (US) 2026-03-19 US disclosed
US-20260060961-A1 SUBSTITUTED HETEROCYCLES AS RAS INHIBITORS JAZZ PHARMACEUTICALS IRELAND LTD (IE) 2026-03-05 US disclosed
EP-4344702-B1 PYRAZOLYL DERIVATIVES USEFUL AS ANTI-CANCER AGENTS NOVARTIS AG (CH) 2026-01-28 EP disclosed
US-12410194-B2 Potent and selective azaindole inhibitors of CDK8 and CDK19 DANA-FARBER CANCER INSTITUTE, INC. (US) 2025-09-09 US disclosed
EP-4581024-A1 SUBSTITUTED HETEROCYCLES AS RAS INHIBITORS Jazz Pharmaceuticals Ireland Limited (IE) 2025-07-09 EP disclosed
US-12180221-B2 Compounds and uses thereof JANSSEN PHARMACEUTICA NV (BE) 2024-12-31 US disclosed
US-20240228491-A1 METHIONINE ADENOSYLTRANSFERASE INHIBITOR, PREPARATION METHOD THEREFOR AND APPLICATION THEREOF SCINNOHUB PHARMACEUTICAL CO., LTD. (CN) 2024-07-11 US disclosed
US-20240228491-A1 METHIONINE ADENOSYLTRANSFERASE INHIBITOR, PREPARATION METHOD THEREFOR AND APPLICATION THEREOF SCINNOHUB PHARMACEUTICAL CO., LTD. (CN) 2024-07-11 US disclosed
US-20240228489-A1 POSITIVE ALLOSTERIC MODULATORS OF THE MUSCARINIC ACETYLCHOLINE RECEPTOR M1 VANDERBILT UNIVERSITY 2024-07-11 US disclosed
WO-2013148603-A1 CINNOLINE DERIVATIVES AS AS BTK INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-10-03 WO disclosed
EP-2640366-A2 BENZOXAZEPINES AS INHIBITORS OF PI3K/MTOR AND METHODS OF THEIR USE AND MANUFACTURE Exelixis, Inc. (US) 2013-09-25 EP disclosed
WO-2013119916-A2 COMPOUNDS FOR TREATING SPINAL MUSCULAR ATROPHY PTC THERAPEUTICS, INC. (US) 2013-08-15 WO disclosed
WO-2013119916-A2 COMPOUNDS FOR TREATING SPINAL MUSCULAR ATROPHY PTC THERAPEUTICS, INC. (US) 2013-08-15 WO disclosed
US-20130053341-A1 THERAPEUTIC COMPOUNDS AND RELATED METHODS OF USE OTSUKA PHARMACEUTICAL COMPANY (JP) 2013-02-28 US disclosed
US-20130053341-A1 THERAPEUTIC COMPOUNDS AND RELATED METHODS OF USE OTSUKA PHARMACEUTICAL COMPANY (JP) 2013-02-28 US disclosed
WO-2012068096-A2 BENZOXAZEPINES AS INHIBITORS OF PI3K/MTOR AND METHODS OF THEIR USE AND MANUFACTURE EXELIXIS, INC. (US) 2012-05-24 WO disclosed
EP-2432779-A1 BENZOXAZEPINES BASED P13K/MT0R INHIBITORS AGAINST PROLIFERATIVE DISEASES Exelixis, Inc. (US) 2012-03-28 EP disclosed
US-20100298290-A1 Benzoxazepines as Inhibitors of PI3K/mTOR and Methods of Their Use and Manufacture EXELIXIS, INC. (US) 2010-11-25 US disclosed
WO-2010135524-A1 BENZOXAZEPINES BASED P13K/MT0R INHIBITORS AGAINST PROLIFERATIVE DISEASES EXELIXIS, INC. (US) 2010-11-25 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 (9 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-20100298290-A1 Benzoxazepines as Inhibitors of PI3K/mTOR and Methods of Their Use and Manufacture MTOR, RICTOR, PIK3CA IRAK4 1189/4885TRPA1 1356/4885LPL 2961/4885
US-20260060961-A1 SUBSTITUTED HETEROCYCLES AS RAS INHIBITORS KRAS, NRAS, HRAS IRAK4 3512/4885TRPA1 3703/4885LPL 4289/4885
US-12180221-B2 Compounds and uses thereof NLN, ACHE, CLN6 IRAK4 3625/4885TRPA1 469/4885LPL 3116/4885
US-12410194-B2 Potent and selective azaindole inhibitors of CDK8 and CDK19 CDK8, CDK9, CDK19 IRAK4 3018/4885TRPA1 4880/4885LPL 4632/4885
US-20240228489-A1 POSITIVE ALLOSTERIC MODULATORS OF THE MUSCARINIC ACETYLCHOLINE RECEPTOR M1 CHRM1, CHRM3, CHRM2 IRAK4 2594/4885TRPA1 819/4885LPL 3530/4885
US-20260078116-A1 SMALL MOLECULE PROTEIN SYNTHESIS MODULATORS MYC, KRAS, MCL1 IRAK4 2925/4885TRPA1 4716/4885LPL 3873/4885
US-20260109696-A1 SMALL MOLECULE PROTEIN SYNTHESIS MODULATORS KRAS, MYC, NRAS IRAK4 2650/4885TRPA1 4865/4885LPL 3678/4885
US-20240228491-A1 METHIONINE ADENOSYLTRANSFERASE INHIBITOR, PREPARATION METHOD THEREFOR AND APPLICATION THEREOF MAT1A, AMD1, MAT2B IRAK4 3799/4885TRPA1 4572/4885LPL 1131/4885
US-20130053341-A1 THERAPEUTIC COMPOUNDS AND RELATED METHODS OF USE PPP4C, PPP3CB, PTPRG IRAK4 2101/4885TRPA1 4702/4885LPL 1895/4885

“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.