Sugi Predict

Sugi Predict / Compounds / SCHEMBL645580

SCHEMBL645580

SCHEMBL645580

CCOC(=O)c1cn(C)nc1I

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 1/20 0.47
▸ ADORA3 P0DMS8 1/20 0.47
▸ ADORA2A P29274 1/20 0.47
▸ ADORA1 P30542 1/20 0.47
▸ BAZ2B Q9UIF8 1/20 0.45
▸ BAZ2A Q9UIF9 1/20 0.45
▸ JMJD6 Q6NYC1 2/20 0.44
▸ HSD17B10 Q99714 4/20 0.42
▸ KDM4E B2RXH2 4/20 0.42
▸ NPC1 O15118 1/20 0.42
▸ TP53 P04637 1/20 0.42
▸ RAB9A P51151 1/20 0.42
▸ ALDH1A1 P00352 5/20 0.41
▸ MEN1 O00255 2/20 0.41
▸ KMT2A Q03164 2/20 0.41
▸ LMNA P02545 1/20 0.41
▸ MAPK1 P28482 1/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ TEAD2 Q15562 1/20 0.41
▸ GAA P10253 3/20 0.40

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
SCHEMBL27085786 0.84 TEAD2 (0.43) TSHRADORA3ADORA2AADORA1BAZ2B
SCHEMBL3752495 0.83 TSHR (0.44) TSHRBAZ2BBAZ2AJMJD6HSD17B10
SCHEMBL23362881 0.82 NR4A2 (0.40) TSHRJMJD6KDM4EALDH1A1MEN1
SCHEMBL4698208 0.82 TSHR (0.50) TSHRADORA3ADORA2AADORA1BAZ2B
SCHEMBL3267578 0.82 TSHR (0.50) TSHRADORA3ADORA2AADORA1BAZ2B
SCHEMBL2671067 0.82 TSHR (0.43) TSHRADORA3ADORA2AADORA1BAZ2B
SCHEMBL2671684 0.81 ADORA3 (0.49) TSHRADORA3ADORA2AADORA1BAZ2B
SCHEMBL22897188 0.81 FOS (0.43) TSHRBAZ2BBAZ2AJMJD6HSD17B10
SCHEMBL1459312 0.81 ADORA2A (0.55) TSHRADORA3ADORA2AADORA1BAZ2B
SCHEMBL20028110 0.80 FOS (0.44) TSHRBAZ2BBAZ2AHSD17B10KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4499630-A1 BCL-XL INHIBITORS BeiGene, Ltd. (KY) 2025-02-05 — — EP disclosed
US-20250034128-A1 BCL-XL INHIBITORS BEIGENE, LTD. (KY) 2025-01-30 — — US disclosed
CN-119039226-A Method for synthesizing fluorine-containing methyl pyrazole carboxylic ester 中蓝晨光化工研究设计院有限公司 2024-11-29 — — CN disclosed
CN-118974033-A Bcl-xL inhibitors 百济神州有限公司 2024-11-15 — — CN disclosed
WO-2023185986-A1 BCL-XL INHIBITORS BEIGENE , LTD. (KY) 2023-10-05 — — WO disclosed
EP-4095138-A1 INHIBITORS OF RIP1 KINASE AND METHODS OF USE THEREOF F. Hoffmann-La Roche AG (CH) 2022-11-30 — — EP disclosed
US-20220347173-A1 METHODS OF TREATING LIVER FIBROSIS USING CALPAIN INHIBITORS BLADE THERAPEUTICS INC (US) 2022-11-03 — — US disclosed
US-20220324814-A1 CALPAIN MODULATORS AND THERAPEUTIC USES THEREOF BLADE THERAPEUTICS INC (US) 2022-10-13 — — US disclosed
EP-3555093-B1 INHIBITORS OF RIP1 KINASE AND METHODS OF USE THEREOF HOFFMANN LA ROCHE (CH) 2022-09-21 — — EP disclosed
CN-110072863-B RIP1 kinase inhibitors and methods of use 豪夫迈·罗氏有限公司 2022-08-30 — — CN disclosed
US-8119682-B2 Iodopyrazolyl carboxanilides BAYER CROPSCIENCE AG (DE) 2012-02-21 — — US disclosed
US-20110124698-A1 Iodopyrazolyl Carboxanilides BAYER INTELLECTUAL PROPERTY GMBH (DE) 2011-05-26 — — US disclosed
US-7906656-B2 Iodopyrazolyl carboxanilides BAYER CROPSCIENCE AG (DE) 2011-03-15 — — US disclosed
US-20100152266-A1 Iodopyrazolyl Carboxanilides BAYER INTELLECTUAL PROPERTY GMBH (DE) 2010-06-17 — — US disclosed
US-7687531-B2 N-(3',4'dichloro-5-fluoro-1,1'-biphenyl-2-yl)-3-iodo-1-methyl-1H-pyrazole4-carboxamide; fungicides; molds/fungi/; plants/organisms/; controlling microorganisms; microbiocides; dermatophytes; Candida; Epidermophyton; Aspergillus; Trichophyton BAYER CROPSCIENCE AG (DE) 2010-03-30 — — US disclosed
US-20070066673-A1 Iodopyrazolyl carboxanilides BAYER INTELLECTUAL PROPERTY GMBH (DE) 2007-03-22 — — US disclosed
EP-0623113-B1 PYRAZOLE CARBOXANILIDE FUNGICIDES MONSANTO CO (US) 1997-03-05 — — EP disclosed
EP-0623113-A1 PYRAZOLE CARBOXANILIDE FUNGICIDES. MONSANTO CO (US) 1994-11-09 — — EP disclosed
US-5223526-A For plants MONSANTO COMPANY (US) 1993-06-29 — — US disclosed
WO-1993011117-A1 PYRAZOLE CARBOXANILIDE FUNGICIDES MONSANTO COMPANY (US) 1993-06-10 — — 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-20220347173-A1 METHODS OF TREATING LIVER FIBROSIS USING CALPAIN INHIBITORS CAPNS1, CAPN9, CAPN2 TSHR 4690/4885ADORA3 4597/4885ADORA2A 3832/4885
US-20110124698-A1 Iodopyrazolyl Carboxanilides IDH2, ABL1, IDH1 TSHR 206/4885ADORA3 1407/4885ADORA2A 2506/4885
US-20250034128-A1 BCL-XL INHIBITORS BCL2, BCL2L1, BCL2L10 TSHR 3890/4885ADORA3 4790/4885ADORA2A 4308/4885
US-20220324814-A1 CALPAIN MODULATORS AND THERAPEUTIC USES THEREOF CAPNS1, CAPN9, CAPN1 TSHR 4380/4885ADORA3 4217/4885ADORA2A 3456/4885
US-20070066673-A1 Iodopyrazolyl carboxanilides Q6ZSR9, C1S, MRPL21 TSHR 274/4885ADORA3 1907/4885ADORA2A 3100/4885
US-20100152266-A1 Iodopyrazolyl Carboxanilides IDH2, ABL1, IDH1 TSHR 206/4885ADORA3 1407/4885ADORA2A 2506/4885

“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.