SCHEMBL537862

SCHEMBL537862

O=[N+]([O-])c1ccc2nccc(O)c2c1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 1/20 0.53
MAPT P10636 3/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
CCNC P24863 1/20 0.50
CDK8 P49336 1/20 0.50
ALK Q9UM73 1/20 0.50
TXNRD1 Q16881 1/20 0.49
TXNRD3 Q86VQ6 1/20 0.49
TXNRD2 Q9NNW7 1/20 0.49
ERN1 O75460 1/20 0.47
GPR35 Q9HC97 2/20 0.47
ALDH1A1 P00352 2/20 0.47
MAPK1 P28482 2/20 0.47
TP53 P04637 1/20 0.47
HPGD P15428 1/20 0.47
TSHR P16473 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
GAA P10253 2/20 0.47
NCOA1 Q15788 1/20 0.47
NCOA3 Q9Y6Q9 1/20 0.47

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
SCHEMBL4910411 0.88 GPR35 (0.49) PARP1MAPTTXNRD1TXNRD3TXNRD2
SCHEMBL16289937 0.80 PARP1 (0.53) PARP1MAPTL3MBTL1CCNCCDK8
SCHEMBL30349874 0.80 L3MBTL1 (0.54) PARP1L3MBTL1CCNCCDK8TXNRD1
SCHEMBL6202198 0.80 NR4A2 (0.53) PARP1L3MBTL1CCNCCDK8TXNRD1
SCHEMBL22492337 0.80 PARP1 (0.53) PARP1MAPTL3MBTL1CCNCCDK8
SCHEMBL537824 0.80 PARP1 (0.53) PARP1MAPTL3MBTL1CCNCCDK8
SCHEMBL4642829 0.80 L3MBTL1 (0.54) PARP1L3MBTL1CCNCCDK8TXNRD1
SCHEMBL31067263 0.80 PARP1 (0.53) PARP1MAPTL3MBTL1CCNCCDK8
SCHEMBL30175863 0.80 LMNA (0.55) PARP1MAPTL3MBTL1CCNCCDK8
SCHEMBL31040685 0.78 TXNRD1 (0.58) PARP1MAPTL3MBTL1TXNRD1TXNRD3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106432206-A Method for synthesizing lapatinib or intermediate 5-(4-hydroxy quinazoline)-furan-2-formaldehyde of lapatinib 成都美睿科生物科技有限公司 2017-02-22 CN claimed
US-12281080-B2 Quinoline-based compounds and methods of inhibiting CDK8/19 UNIVERSITY OF SOUTH CAROLINA (US) 2025-04-22 US disclosed
US-20230219927-A1 AKT3 MODULATORS Georgiamune Inc. 2023-07-13 US disclosed
US-20230183226-A1 AKT3 MODULATORS Georgiamune Inc. 2023-06-15 US disclosed
US-20230183226-A1 AKT3 MODULATORS Georgiamune Inc. 2023-06-15 US disclosed
CN-113416166-B Method for preparing 4-hydroxyquinoline-2 (1H) -ketone compound 浙江外国语学院 2022-08-05 CN disclosed
US-20210276956-A1 QUINOLINE-BASED COMPOUNDS AND METHODS OF INHIBITING CDK8/19 UNIVERSITY OF SOUTH CAROLINA (US) 2021-09-09 US disclosed
US-11014906-B2 Quinoline-based compounds and methods of inhibiting CDK8/19 UNIVERSITY OF SOUTH CAROLINA (US) 2021-05-25 US disclosed
US-20200062728-A1 QUINOLINE-BASED COMPOUNDS AND METHODS OF INHIBITING CDK8/19 UNIVERSITY OF SOUTH CAROLINA (US) 2020-02-27 US disclosed
CN-108373452-A A kind of preparation method of lapatinib key intermediate 安庆奇创药业有限公司 2018-08-07 CN disclosed
CN-101742908-A therapeutic pyrazoloquinoline derivatives HELICON THERAPEUTICS INC 2010-06-16 CN disclosed
EP-2166852-A1 THERAPEUTIC PYRAZOLOQUINOLINE DERIVATIVES Helicon Therapeutics, Inc. (US) 2010-03-31 EP disclosed
WO-2008154438-A1 THERAPEUTIC PYRAZOLOQUINOLINE DERIVATIVES HELICON THERAPEUTICS, INC. (US) 2008-12-18 WO disclosed
US-20080306049-A1 THERAPEUTIC PYRAZOLOQUINOLINE DERIVATIVES HELICON THERAPEUTICS, INC. (US) 2008-12-11 US disclosed
EP-1981341-A2 INHIBITORS OF FATTY ACID SYNTHASE (FAS) Merck and Co., Inc. (US) 2008-10-22 EP disclosed
US-20080045538-A1 Nitro and amino substituted topoisomerase agents RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY 2008-02-21 US disclosed
WO-2007089634-A2 INHIBITORS OF FATTY ACID SYNTHASE (FAS) MERCK & CO., INC. (US) 2007-08-09 WO disclosed
US-6992089-B2 Nitro and amino substituted topoisomerase agents RUTGERS, THE UNIVERSITY OF NEW JERSEY (US) 2006-01-31 US disclosed
US-20040102443-A1 Nitro and amino substituted topoisomerase agents RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY 2004-05-27 US disclosed
WO-2004014906-A2 NITRO AND AMINO SUBSTITUTED DIBENZONAPHTHYRIDINES AS TOPOISOMERASE AGENTS RUTGERS, THE STATE UNIVERSITY (US) 2004-02-19 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-20230183226-A1 AKT3 MODULATORS AKT3, AKT2, MTOR PARP1 2894/4885MAPT 3999/4885L3MBTL1 2256/4885
US-20080306049-A1 THERAPEUTIC PYRAZOLOQUINOLINE DERIVATIVES GABRA5, GABRB1, GABRB2 PARP1 4637/4885MAPT 461/4885L3MBTL1 4695/4885
US-20200062728-A1 QUINOLINE-BASED COMPOUNDS AND METHODS OF INHIBITING CDK8/19 CDK8, CDK9, CDK19 PARP1 636/4885MAPT 2574/4885L3MBTL1 1942/4885
US-20080045538-A1 Nitro and amino substituted topoisomerase agents TOP1, TOP2A, TOP2B PARP1 73/4885MAPT 4024/4885L3MBTL1 3087/4885
US-20230219927-A1 AKT3 MODULATORS AKT3, AKT2, PIK3CA PARP1 2205/4885MAPT 3976/4885L3MBTL1 3768/4885
US-11014906-B2 Quinoline-based compounds and methods of inhibiting CDK8/19 CDK8, CDK9, CDK19 PARP1 566/4885MAPT 2326/4885L3MBTL1 2002/4885
US-20040102443-A1 Nitro and amino substituted topoisomerase agents TOP1, TOP2A, TOP2B PARP1 49/4885MAPT 4283/4885L3MBTL1 2625/4885
US-12281080-B2 Quinoline-based compounds and methods of inhibiting CDK8/19 CDK8, CDK9, CDK19 PARP1 566/4885MAPT 2326/4885L3MBTL1 2002/4885
US-20210276956-A1 QUINOLINE-BASED COMPOUNDS AND METHODS OF INHIBITING CDK8/19 CDK8, CDK9, CDK19 PARP1 636/4885MAPT 2574/4885L3MBTL1 1942/4885

“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.