SCHEMBL563818

SCHEMBL563818

[O-][n+]1n[nH]c2cccnc21

nearest known ligand 0.34

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 3/20 0.34
NUDT1 P36639 1/20 0.33
PSMD14 O00487 1/20 0.32
GRM4 Q14833 1/20 0.32
KCNMA1 Q12791 1/20 0.31
PDE5A O76074 1/20 0.31
CDK1 P06493 1/20 0.31
CDK2 P24941 1/20 0.31
MKNK1 Q9BUB5 1/20 0.31
MKNK2 Q9HBH9 1/20 0.31
DAO P14920 2/20 0.31
LRRK2 Q5S007 1/20 0.31
ATAD2 Q6PL18 1/20 0.30
METAP2 P50579 1/20 0.30
METAP1 P53582 1/20 0.30

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
SCHEMBL29442847 1.00 PARP1 (0.34) PARP1NUDT1PSMD14GRM4KCNMA1
Potassium Ion SCHEMBL29563578 0.91 PARP1 (0.30) PARP1
SCHEMBL2070476 0.69 PSMD14 (0.35) PARP1NUDT1PSMD14KCNMA1DAO
SCHEMBL2845655 0.67 KDM4E (0.35) NUDT1CDK2
SCHEMBL5894475 0.62 LMNA (0.38) NUDT1PSMD14METAP2METAP1
SCHEMBL29356921 0.61 ALDH1A1 (0.35)
Hydrochloric Acid SCHEMBL30269612 0.61 PSMD14 (0.35) PARP1NUDT1PSMD14KCNMA1DAO
SCHEMBL2729735 0.61 MMP2 (0.37) NUDT1PSMD14METAP2METAP1
SCHEMBL30201375 0.61 NUDT1 (0.40) PARP1NUDT1PSMD14KCNMA1PDE5A
SCHEMBL5894605 0.60 TDP1 (0.31)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12624035-B2 Compounds for targeted protein degradation AMPHISTA THERAPEUTICS LIMITED (GB) 2026-05-12 US disclosed
US-20260125387-A1 (R)-N-ETHYL-5-FLUORO-N-ISOPROPYL-2-((5-(2-(6-((2-METHOXYETHYL)(METHYL)AMINO)-2-METHYLHEXAN-3-YL)-2,6-DIAZASPIRO[3.4]OCTAN-6-YL)-1,2,4-TRIAZIN-6-YL)OXY)BENZAMIDE BESYLATE SALT JANSSEN PHARMACEUTICA NV (BE) 2026-05-07 US disclosed
US-12606522-B2 Sulfinylaminobenzamide and sulfonylaminobenzamide derivatives ORSOBIO, INC. (US) 2026-04-21 US disclosed
US-12595247-B2 Substituted pyrazolo piperidine carboxylic acids BAYER AKTIENGESELLSCHAFT (DE) 2026-04-07 US disclosed
US-20260070904-A1 COMPOUNDS FOR TARGETED PROTEIN DEGRADATION AMPHISTA THERAPEUTICS LIMITED (GB) 2026-03-12 US disclosed
US-12570642-B2 GLP-IR modulating compounds GILEAD SCIENCES, INC. (US) 2026-03-10 US disclosed
US-20260042782-A1 ISOINDOLINONE AND INDAZOLE COMPOUNDS FOR THE DEGRADATION OF EGFR C4 THERAPEUTICS, INC. (US) 2026-02-12 US disclosed
US-20260035374-A1 PYRROLO[1,2-b]PYRIDAZINE DERIVATIVES GILEAD SCIENCES INC (US) 2026-02-05 US disclosed
US-20260001914-A1 MACROCYCLIC PEPTIDES TARGETING KRAS MERCK SHARP & DOHME LLC (US) 2026-01-01 US disclosed
US-20250382304-A1 HETEROAROMATIC MACROCYCLIC ETHER CHEMOTHERAPEUTIC AGENTS NUVALENT INC (US) 2025-12-18 US disclosed
US-20170233413-A1 SUBSTITUTED ANNULATED PYRIMIDINES AND USE THEREOF BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2017-08-17 US disclosed
EP-3194396-A1 DIAZINE-FUSED AMIDINE COMPOUNDS AS BACE INHIBITORS, COMPOSITIONS, AND THEIR USE Merck Sharp & Dohme Corp. (US) 2017-07-26 EP disclosed
EP-3186259-A1 TETRAHYDRONAPHTHALENE DERIVATIVES THAT INHIBIT MCL-1 PROTEIN Amgen Inc. (US) 2017-07-05 EP disclosed
US-20170008890-A1 SUBSTITUTED 4-AZAINDOLES AND THEIR USE AS GLUN2B RECEPTOR MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2017-01-12 US disclosed
WO-2016044120-A1 DIAZINE-FUSED AMIDINE COMPOUNDS AS BACE INHIBITORS, COMPOSITIONS, AND THEIR USE MERCK SHARP & DOHME CORP. (US) 2016-03-24 WO disclosed
WO-2016033486-A1 TETRAHYDRONAPHTHALENE DERIVATIVES THAT INHIBIT MCL-1 PROTEIN AMGEN INC. (US) 2016-03-03 WO disclosed
US-20120238563-A1 NOVEL UNSATURATED TETRACYCLIC TETRAHYDROFURAN DERIVATIVES CID-NUNEZ JOSE MARIA (ES) 2012-09-20 US disclosed
US-20120035170-A1 NOVEL UNSATURATED TETRACYCLIC TETRAHYDROFURAN DERIVATIVES NUNEZ JOSE MARIA (ES) 2012-02-09 US disclosed
US-8022102-B2 Unsaturated tetracyclic tetrahydrofuran derivatives JANSSEN PHARMACEUTICA, NV (BE) 2011-09-20 US disclosed
US-20070191469-A1 Novel tetracyclic tetrahydrofuran derivatives JANSSEN-CILAG S.A. (ES) 2007-08-16 US 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 (15 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-20260035374-A1 PYRROLO[1,2-b]PYRIDAZINE DERIVATIVES IRAK4, IRAK1, IRAK2 PARP1 1854/4885NUDT1 3126/4885PSMD14 1747/4885
US-20120035170-A1 NOVEL UNSATURATED TETRACYCLIC TETRAHYDROFURAN DERIVATIVES HTR2C, HTR2A, HTR1A PARP1 2590/4885NUDT1 452/4885PSMD14 4246/4885
US-20260070904-A1 COMPOUNDS FOR TARGETED PROTEIN DEGRADATION BRD9, BRWD1, BRD1 PARP1 1321/4885NUDT1 4697/4885PSMD14 40/4885
US-20170008890-A1 SUBSTITUTED 4-AZAINDOLES AND THEIR USE AS GLUN2B RECEPTOR MODULATORS GRIN2B, GRIN2A, GRIN2C PARP1 3730/4885NUDT1 3693/4885PSMD14 3435/4885
US-20070191469-A1 Novel tetracyclic tetrahydrofuran derivatives HTR2C, HTR2A, HTR1A PARP1 2993/4885NUDT1 369/4885PSMD14 4368/4885
US-20170233413-A1 SUBSTITUTED ANNULATED PYRIMIDINES AND USE THEREOF TYMP, DPYD, TYMS PARP1 176/4885NUDT1 6/4885PSMD14 3690/4885
US-12624035-B2 Compounds for targeted protein degradation BRD9, BRD1, BRD3 PARP1 1247/4885NUDT1 4532/4885PSMD14 24/4885
US-20250382304-A1 HETEROAROMATIC MACROCYCLIC ETHER CHEMOTHERAPEUTIC AGENTS CYP2C8, ABCB1, PAICS PARP1 1071/4885NUDT1 384/4885PSMD14 2712/4885
US-12606522-B2 Sulfinylaminobenzamide and sulfonylaminobenzamide derivatives NR3C2, NR5A1, SRD5A2 PARP1 4681/4885NUDT1 2343/4885PSMD14 4319/4885
US-12595247-B2 Substituted pyrazolo piperidine carboxylic acids SSB, PDK4, FPR1 PARP1 449/4885NUDT1 884/4885PSMD14 3794/4885
US-20120238563-A1 NOVEL UNSATURATED TETRACYCLIC TETRAHYDROFURAN DERIVATIVES HTR2C, HTR2A, HTR1A PARP1 2590/4885NUDT1 452/4885PSMD14 4246/4885
US-20260042782-A1 ISOINDOLINONE AND INDAZOLE COMPOUNDS FOR THE DEGRADATION OF EGFR EGFR, ERBB2, ERBB3 PARP1 2461/4885NUDT1 4085/4885PSMD14 293/4885
US-20260001914-A1 MACROCYCLIC PEPTIDES TARGETING KRAS KRAS, NRAS, HRAS PARP1 2068/4885NUDT1 3796/4885PSMD14 2845/4885
US-12570642-B2 GLP-IR modulating compounds GLP1R, GIPR, GPR119 PARP1 4444/4885NUDT1 4511/4885PSMD14 4268/4885
US-20260125387-A1 (R)-N-ETHYL-5-FLUORO-N-ISOPROPYL-2-((5-(2-(6-((2-METHOXYETHYL)(METHYL)AMINO)-2-METHYLHEXAN-3-YL)-2,6-DIAZASPIRO[3.4]OCTAN-6-YL)-1,2,4-TRIAZIN-6-YL)OXY)BENZAMIDE BESYLATE SALT MLLT1, MEN1, MLLT3 PARP1 909/4885NUDT1 1706/4885PSMD14 3057/4885

“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.