SCHEMBL4015568

SCHEMBL4015568

O=[N+]([O-])c1cc(CO)n[nH]1

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.40
MAPT P10636 2/20 0.36
POLB P06746 1/20 0.36
CCR2 P41597 1/20 0.32
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
HCAR2 Q8TDS4 1/20 0.32
DYRK1A Q13627 1/20 0.31
CCNE2 O96020 1/20 0.30
CCNE1 P24864 1/20 0.30
CDK2 P24941 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
SCHEMBL9934504 0.81 HPGD (0.37) HPGDMAPTPOLBCCR2ALDH1A1
SCHEMBL27725626 0.80 HPGD (0.40) HPGDMAPTALDH1A1DYRK1ACDK2
Hydrochloric Acid SCHEMBL31555632 0.79 HPGD (0.36) HPGDMAPTCCR2ALDH1A1
SCHEMBL28038521 0.74 HPGD (0.33) HPGD
SCHEMBL10400082 0.73 HRH1 (0.36) HPGDCCR2
SCHEMBL162091 0.71 HPGD (0.41) HPGDMAPTPOLBDYRK1A
SCHEMBL27819434 0.70 TSHR (0.43) MAPT
SCHEMBL29867812 0.70 KMT2A (0.61) HPGDMAPTALDH1A1CCNE2CCNE1
SCHEMBL22204510 0.70 KMT2A (0.61) HPGDMAPTALDH1A1CCNE2CCNE1
SCHEMBL2544544 0.69

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250282768-A1 PYRROLIDINONE DERIVATIVES AS INHIBITORS OF NF KAPPA B INDUCING KINASE JANSSEN PHARMACEUTICA NV (BE) 2025-09-11 US disclosed
WO-2025110815-A1 IMIDAZO [1,2-B] PYRIDAZINE-BASED NOVEL COMPOUND AS CDK INHIBITOR AND USE THEREOF 아이리드비엠에스 주식회사 2025-05-30 WO disclosed
WO-2025080653-A1 PYRROLO[2,1-F][1,2,4]TRIAZINE COMPOUNDS ACTING AGAINST CANCERS, INFLAMMATORY DISEASES, AND FIBROTIC DISEASE VIA INTERACTION WITH RAS SUPERFAMILY PROTEINS SHY THERAPEUTICS, LLC (US) 2025-04-17 WO disclosed
EP-4522607-A1 PYRROLIDINONE DERIVATIVES AS INHIBITORS OF NF-kB INDUCING KINASE JANSSEN Pharmaceutica NV (BE) 2025-03-19 EP disclosed
CN-119490502-A Aromatic heterocyclic pyrrolidones and uses thereof 杭州百新生物医药科技有限公司 2025-02-21 CN disclosed
CN-119317626-A Pyrrolidone derivatives as inhibitors of NF- κb-induced kinase 詹森药业有限公司 2025-01-14 CN disclosed
WO-2023217851-A1 PYRROLIDINONE DERIVATIVES AS INHIBITORS OF NF-κB INDUCING KINASE JANSSEN PHARMACEUTICA NV (BE) 2023-11-16 WO disclosed
US-20230167110-A1 6-HETEROARYLOXY BENZIMIDAZOLES AND AZABENZIMIDAZOLES AS JAK2 INHIBITORS SCHRÖDINGER, INC. 2023-06-01 US disclosed
CN-111527090-B Pyrazolo-pyrrolo-pyrimidine-dione derivatives as P2X3 inhibitors 拜耳公司 2023-05-26 CN disclosed
US-11572356-B2 Biaryl inhibitors of Bruton's tyrosine kinase BIOGEN MA INC. (US) 2023-02-07 US disclosed
US-20130237552-A1 SULFUR DERIVATIVES AS CHEMOKINE RECEPTOR MODULATORS ALLERGAN, INC. (US) 2013-09-12 US disclosed
US-20130190338-A1 SULFUR DERIVATIVES AS CHEMOKINE RECEPTOR MODULATORS ALLERGAN, INC. (US) 2013-07-25 US disclosed
US-20130165460-A1 SULFUR DERIVATIVES AS CHEMOKINE RECEPTOR MODULATORS ALLERGAN, INC. (US) 2013-06-27 US disclosed
US-8450367-B2 Sulfur derivatives as chemokine receptor modulators ALLERGAN, INC. (US) 2013-05-28 US disclosed
US-20120157487-A1 SULFUR DERIVATIVES AS CHEMOKINE RECEPTOR MODULATORS ALLERGAN, INC. (US) 2012-06-21 US disclosed
WO-2012082566-A1 SULFUR DERIVATIVES AS CHEMOKINE RECEPTOR MODULATORS ALLERGAN, INC. (US) 2012-06-21 WO disclosed
CN-101501030-A Pyrimidine derivatives useful in the treatment of cancer ASTRAZENECA AB (SE) 2009-08-05 CN disclosed
EP-2044063-A1 PYRIMIDINE DERIVATIVES USEFUL IN THE TREATMENT OF CANCER Astra Zeneca AB (SE) 2009-04-08 EP disclosed
WO-2008001070-A1 PYRIMIDINE DERIVATIVES USEFUL IN THE TREATMENT OF CANCER ASTRAZENECA AB (SE) 2008-01-03 WO disclosed
US-20080004302-A1 Novel Compounds ASTRAZENECA AB (SE) 2008-01-03 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 (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-11572356-B2 Biaryl inhibitors of Bruton's tyrosine kinase ABL1, BTK, LYN HPGD 4462/4885MAPT 4497/4885POLB 1872/4885
US-20250282768-A1 PYRROLIDINONE DERIVATIVES AS INHIBITORS OF NF KAPPA B INDUCING KINASE NFKBIA, IKBKG, IKBKB HPGD 567/4885MAPT 3296/4885POLB 478/4885
US-20120157487-A1 SULFUR DERIVATIVES AS CHEMOKINE RECEPTOR MODULATORS CX3CR1, CXCR2, CCR2 HPGD 376/4885MAPT 4253/4885POLB 3493/4885
US-20130190338-A1 SULFUR DERIVATIVES AS CHEMOKINE RECEPTOR MODULATORS CX3CR1, CXCR2, CCR2 HPGD 376/4885MAPT 4253/4885POLB 3493/4885
US-20130165460-A1 SULFUR DERIVATIVES AS CHEMOKINE RECEPTOR MODULATORS CX3CR1, CXCR2, CCR2 HPGD 376/4885MAPT 4253/4885POLB 3493/4885
US-20130237552-A1 SULFUR DERIVATIVES AS CHEMOKINE RECEPTOR MODULATORS CX3CR1, CXCR2, CCR2 HPGD 376/4885MAPT 4253/4885POLB 3493/4885
US-20230167110-A1 6-HETEROARYLOXY BENZIMIDAZOLES AND AZABENZIMIDAZOLES AS JAK2 INHIBITORS JAK2, JAK3, STAT5B HPGD 3069/4885MAPT 4844/4885POLB 1228/4885
US-20080004302-A1 Novel Compounds CYP11B2, CYP11B1, CYP46A1 HPGD 307/4885MAPT 2200/4885POLB 3906/4885

“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.