SCHEMBL1013111

SCHEMBL1013111

COC(=O)c1cc(OCc2ccccc2)c(OC)cc1[N+](=O)[O-]

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.57
KMT2A Q03164 3/20 0.57
ALDH1A1 P00352 1/20 0.57
CTSV O60911 3/20 0.56
CTSL P07711 3/20 0.56
MAPT P10636 2/20 0.54
LMNA P02545 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.51
HTR1A P08908 1/20 0.50
ADRA1D P25100 1/20 0.50
ADRA1A P35348 1/20 0.50
ADRA1B P35368 1/20 0.50
ABCB1 P08183 1/20 0.50
KDM4E B2RXH2 1/20 0.49
HTT P42858 1/20 0.49
POLB P06746 1/20 0.49
SMPD1 P17405 1/20 0.49
HDAC1 Q13547 1/20 0.49
HDAC8 Q9BY41 1/20 0.49
HDAC6 Q9UBN7 1/20 0.49

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
SCHEMBL2063806 1.00 MEN1 (0.57) MEN1KMT2AALDH1A1CTSVCTSL
SCHEMBL29444157 1.00 MEN1 (0.57) MEN1KMT2AALDH1A1CTSVCTSL
Nitric Acid SCHEMBL7007347 0.98 MEN1 (0.56) MEN1KMT2AALDH1A1CTSVCTSL
SCHEMBL1783172 0.93 MEN1 (0.52) MEN1KMT2AALDH1A1CTSVCTSL
SCHEMBL30820477 0.92 CTSV (0.50) MEN1KMT2AALDH1A1CTSVCTSL
SCHEMBL18660057 0.92 CTSV (0.50) MEN1KMT2AALDH1A1CTSVCTSL
SCHEMBL2089147 0.92 MEN1 (0.54) MEN1KMT2AALDH1A1CTSVCTSL
SCHEMBL874114 0.92 MEN1 (0.54) MEN1KMT2AALDH1A1CTSVCTSL
SCHEMBL29729282 0.92 MEN1 (0.54) MEN1KMT2AALDH1A1CTSVCTSL
SCHEMBL31738326 0.91 CTSV (0.58) MEN1KMT2AALDH1A1CTSVCTSL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114026083-B Heterocyclic inhibitors of tyrosine kinases 德州大学系统董事会 2024-07-09 CN disclosed
US-20240083857-A1 2-Methyl-Quinazolines Bayer Pharma AG (DE) 2024-03-14 US disclosed
WO-2022170917-A1 POLYCYCLIC PYRIMIDINE DERIVATIVE AS SOS1 INHIBITOR, AND PREPARATION METHOD THEREFOR AND USE THEREOF 苏州阿尔脉生物科技有限公司 2022-08-18 WO disclosed
US-20220235013-A1 2-METHYL-QUINAZOLINES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2022-07-28 US disclosed
US-11365189-B2 Heterocyclic inhibitors of tyrosine kinase BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2022-06-21 US disclosed
US-11365189-B2 Heterocyclic inhibitors of tyrosine kinase BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2022-06-21 US disclosed
US-20220162172-A1 QUINAZOLINONE COMPOUNDS CEREPEUT, INC. 2022-05-26 US disclosed
EP-3962908-A1 HETEROCYCLIC INHIBITORS OF TYROSINE KINASE Board of Regents, The University of Texas System (US) 2022-03-09 EP disclosed
CN-114026083-A Heterocyclic inhibitors of tyrosine kinases 德州大学系统董事会 2022-02-08 CN disclosed
US-20200354343-A1 HETEROCYCLIC INHIBITORS OF TYROSINE KINASE BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM 2020-11-12 US disclosed
WO-2006069740-A1 2, 5 AND 2, 6-DISUBSTITUTED BENZAZOLE ANALOGUES USEFUL AS PROTEIN KINASE INHIBITORS 4SC AG (DE) 2006-07-06 WO disclosed
WO-2006066795-A1 2,5- AND 2,6-DISUBSTITUTED BENZAZOLE DERIVATIVES USEFUL AS PROTEIN KINASE INHIBITORS 4SC AG (DE) 2006-06-29 WO disclosed
US-20060142570-A1 Benzazole analogues and uses thereof 4SC AG (DE) 2006-06-29 US disclosed
EP-1674466-A1 2,5- and 2,6-disubstituted benzazole analogues useful as protein kinase inhibitors 4SC AG (DE) 2006-06-28 EP disclosed
US-20060135782-A1 Benzazole analogues and uses thereof 4SC AG (DE) 2006-06-22 US disclosed
US-20040209905-A1 Quinoline derivatives and quinazoline derivatives KIRIN BEER KABUSHIKI KAISHA (JP) 2004-10-21 US disclosed
US-6797823-B1 Quinoline derivatives and quinazoline derivatives KIRIN BEER KABUSHIKI KAISHA (JP) 2004-09-28 US disclosed
EP-1384712-A1 Derivatives of N-((quinolinyl)oxy)-phenyl)-urea and N-((quinazolinyl)oxy)-phenyl)-urea with antitumor activity KIRIN BEER KABUSHIKI KAISHA (JP) 2004-01-28 EP disclosed
EP-1153920-B1 QUINOLINE DERIVATIVES AND QUINAZOLINE DERIVATIVES KIRIN BREWERY (JP) 2003-10-29 EP disclosed
EP-1153920-A1 QUINOLINE DERIVATIVES AND QUINAZOLINE DERIVATIVES KIRIN BEER KABUSHIKI KAISHA (JP) 2001-11-14 EP 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-20240083857-A1 2-Methyl-Quinazolines NRAS, KRAS, KSR2 MEN1 403/4885KMT2A 834/4885ALDH1A1 4417/4885
US-20060142570-A1 Benzazole analogues and uses thereof CYP3A5, CYP3A7, CYP3A43 MEN1 2616/4885KMT2A 3416/4885ALDH1A1 139/4885
US-20220162172-A1 QUINAZOLINONE COMPOUNDS NDUFAB1, NDUFV1, NDUFV2 MEN1 4562/4885KMT2A 4531/4885ALDH1A1 1693/4885
US-20060135782-A1 Benzazole analogues and uses thereof DCK, SBK3, DAPK3 MEN1 2444/4885KMT2A 1200/4885ALDH1A1 2546/4885
US-20040209905-A1 Quinoline derivatives and quinazoline derivatives RABL3, NRAS, CYTH3 MEN1 3007/4885KMT2A 3313/4885ALDH1A1 3117/4885
US-20220235013-A1 2-METHYL-QUINAZOLINES NRAS, KRAS, KSR2 MEN1 403/4885KMT2A 834/4885ALDH1A1 4417/4885
US-20200354343-A1 HETEROCYCLIC INHIBITORS OF TYROSINE KINASE ERBB2, ERBB3, EGFR MEN1 4107/4885KMT2A 2294/4885ALDH1A1 2730/4885
US-11365189-B2 Heterocyclic inhibitors of tyrosine kinase ERBB2, ERBB3, EGFR MEN1 4107/4885KMT2A 2294/4885ALDH1A1 2730/4885

“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.