SCHEMBL3311977

SCHEMBL3311977

CC1(C)OB(c2ccn3ncnc3c2)OC1(C)C

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
IRAK4 Q9NWZ3 1/20 0.36
LPL P06858 12/20 0.36
LIPG Q9Y5X9 12/20 0.36
FFAR1 O14842 1/20 0.35
CA1 P00915 2/20 0.34
CA2 P00918 2/20 0.34
CA9 Q16790 2/20 0.34
CA12 O43570 1/20 0.34
CA3 P07451 1/20 0.34
CA4 P22748 1/20 0.34
CA6 P23280 1/20 0.34
CA5A P35218 1/20 0.34
CA7 P43166 1/20 0.34
CA14 Q9ULX7 1/20 0.34
CA5B Q9Y2D0 1/20 0.34
EGFR P00533 2/20 0.34
PIK3CD O00329 1/20 0.32
BACE1 P56817 1/20 0.32

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
SCHEMBL20132581 0.88 LPL (0.33) IRAK4LPLLIPGFFAR1
SCHEMBL1820427 0.77 LPL (0.40) IRAK4LPLLIPGFFAR1CA1
SCHEMBL31078786 0.76 LPL (0.36) IRAK4LPLLIPGFFAR1CA1
SCHEMBL22650435 0.75 LPL (0.42) IRAK4LPLLIPGFFAR1PIK3CD
SCHEMBL20602162 0.75 IRAK4 (0.38) IRAK4LPLLIPGFFAR1CA1
SCHEMBL23998384 0.74 ALDH1A1 (0.37) IRAK4LPLLIPGFFAR1CA1
SCHEMBL1427699 0.74 LPL (0.37) IRAK4LPLLIPGFFAR1CA1
SCHEMBL3308241 0.74 PIK3CG (0.39) IRAK4LPLLIPGCA1CA2
SCHEMBL31394806 0.72 IRAK4 (0.46) IRAK4LPLLIPGFFAR1CA1
SCHEMBL31418525 0.72 IRAK4 (0.38) IRAK4LPLLIPGFFAR1EGFR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20260124222-A1 ISOTHIAZOLYLCARBOXAMIDE COMPOUNDS AND THEIR USE IN THERAPY HOTSPOT THERAPEUTICS INC (US) 2026-05-07 US disclosed
EP-3768675-B1 NOVEL TRIAZOLONE DERIVATIVES OR SALTS THEREOF AND PHARMACEUTICAL COMPOSITIONS COMPRISING THE SAME YUHAN CORP (KR) 2026-04-01 EP disclosed
US-20260070902-A1 SULFONYL DERIVATIVES AS CCR6 INHIBITORS HOFFMANN-LA ROCHE INC. (US) 2026-03-12 US disclosed
EP-4630402-A1 SULFONYL DERIVATIVES AS CCR6 INHIBITORS F. Hoffmann-La Roche AG (CH) 2025-10-15 EP disclosed
US-12410183-B2 Sars-cov2 main protease inhibitors GILEAD SCIENCES, INC. (US) 2025-09-09 US disclosed
EP-4565574-A1 SARS-COV2 MAIN PROTEASE INHIBITORS GILEAD SCIENCES, INC. (US) 2025-06-11 EP disclosed
WO-2025087274-A1 AZABICYCLO DERIVATIVE AND PREPARATION METHOD THEREFOR, AND USE 浙江海正药业股份有限公司 2025-05-01 WO disclosed
WO-2025054339-A1 TRIAZOLOPYRIDINE COMPOUNDS AS INHIBITORS OF KIT ARCUS BIOSCIENCES, INC. (US) 2025-03-13 WO disclosed
US-20250042915-A1 SARS-COV2 MAIN PROTEASE INHIBITORS GILEAD SCIENCES, INC. 2025-02-06 US disclosed
US-20250002471-A1 6-SUBSTITUTED INDOLE COMPOUNDS GILEAD SCIENCES, INC. 2025-01-02 US disclosed
WO-2019005588-A1 3-(1H-PYRAZOL-4-YL)PYRIDINE ALLOSTERIC MODULATORS OF THE M4 MUSCARINIC ACETYLCHOLINE RECEPTOR MERCK SHARP & DOHME CORP. (US) 2019-01-03 WO disclosed
US-20180127426-A1 TGF-Beta Inhibitors MIDCAP FINANCIAL TRUST 2018-05-10 US disclosed
US-9884868-B2 TGF-beta inhibitors RIGEL PHARMACEUTICALS, INC. (US) 2018-02-06 US disclosed
US-9884868-B2 TGF-beta inhibitors RIGEL PHARMACEUTICALS, INC. (US) 2018-02-06 US disclosed
US-20160257690-A1 TGF-Beta Inhibitors MIDCAP FINANCIAL TRUST 2016-09-08 US disclosed
US-20160257690-A1 TGF-Beta Inhibitors MIDCAP FINANCIAL TRUST 2016-09-08 US disclosed
US-20100099681-A1 SUBSTITUTED 5-AMINOPYRAZOLES AND USE THEREOF BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2010-04-22 US disclosed
US-20100099681-A1 SUBSTITUTED 5-AMINOPYRAZOLES AND USE THEREOF BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2010-04-22 US disclosed
US-20100099681-A1 SUBSTITUTED 5-AMINOPYRAZOLES AND USE THEREOF BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2010-04-22 US disclosed
WO-2010020363-A1 SUBSTITUTED 5-AMINOPYRAZOLES AND USE THEREOF BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2010-02-25 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 (8 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-20250042915-A1 SARS-COV2 MAIN PROTEASE INHIBITORS ACE2, TMPRSS2, ACE IRAK4 2891/4885LPL 230/4885LIPG 232/4885
US-20250002471-A1 6-SUBSTITUTED INDOLE COMPOUNDS SSB, IDO1, IDO2 IRAK4 748/4885LPL 479/4885LIPG 105/4885
US-20260070902-A1 SULFONYL DERIVATIVES AS CCR6 INHIBITORS CCR6, CCR1, CCR4 IRAK4 936/4885LPL 2448/4885LIPG 3336/4885
US-12410183-B2 Sars-cov2 main protease inhibitors ACE2, TMPRSS2, ACE IRAK4 2891/4885LPL 230/4885LIPG 232/4885
US-20180127426-A1 TGF-Beta Inhibitors TGFBR1, TGFBR2, TGFB1 IRAK4 150/4885LPL 3179/4885LIPG 3057/4885
US-20160257690-A1 TGF-Beta Inhibitors TGFBR1, TGFBR2, TGFB1 IRAK4 150/4885LPL 3179/4885LIPG 3057/4885
US-20100099681-A1 SUBSTITUTED 5-AMINOPYRAZOLES AND USE THEREOF CYP3A5, ABAT, TPMT IRAK4 1444/4885LPL 3774/4885LIPG 3175/4885
US-20260124222-A1 ISOTHIAZOLYLCARBOXAMIDE COMPOUNDS AND THEIR USE IN THERAPY MALT1, BCL6, BCL6B IRAK4 197/4885LPL 2409/4885LIPG 2267/4885

“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.