SCHEMBL944219

SCHEMBL944219

CC(=O)Nc1ncc([N+](=O)[O-])cn1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.63
GAA P10253 2/20 0.63
SMN1; SMN2 Q16637 2/20 0.47
MAPT P10636 5/20 0.47
KMT2A Q03164 4/20 0.47
MEN1 O00255 3/20 0.47
CYP2C19 P33261 2/20 0.47
CYP3A4 P08684 2/20 0.47
CYP2C9 P11712 1/20 0.47
MCL1 Q07820 1/20 0.47
PTK2B Q14289 1/20 0.47
CSNK2A2 P19784 1/20 0.44
CSNK2B P67870 1/20 0.44
CSNK2A1 P68400 1/20 0.44
ALDH1A1 P00352 6/20 0.44
KDM4E B2RXH2 3/20 0.44
LMNA P02545 2/20 0.44
DYRK1A Q13627 2/20 0.42
RAB9A P51151 2/20 0.42
POLB P06746 1/20 0.42

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
SCHEMBL17963904 0.83 GAA (0.47) CYP1A2GAASMN1; SMN2MAPTKMT2A
Carbamic Acid SCHEMBL17963958 0.79 GAA (0.44) CYP1A2GAASMN1; SMN2MAPTKMT2A
SCHEMBL14069596 0.78 LMNA (0.45) CYP1A2GAASMN1; SMN2MAPTKMT2A
SCHEMBL7081121 0.77 GAA (0.43) CYP1A2GAASMN1; SMN2MAPTKMT2A
SCHEMBL474857 0.77 CYP1A2 (1.00) CYP1A2GAASMN1; SMN2MAPTKMT2A
SCHEMBL14855194 0.77 CYP2C19 (0.48) CYP1A2GAASMN1; SMN2MAPTKMT2A
SCHEMBL10961499 0.76 LMNA (0.42) CYP1A2GAASMN1; SMN2MAPTKMT2A
SCHEMBL30598243 0.76 ALDH1A1 (0.47) CYP1A2GAASMN1; SMN2MAPTKMT2A
SCHEMBL5651367 0.76 LMNA (0.58) SMN1; SMN2MAPTKMT2AMEN1ALDH1A1
SCHEMBL2063757 0.75 KMT2A (0.60) CYP1A2GAASMN1; SMN2MAPTKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210353602-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON INC (US) 2021-11-18 US disclosed
US-20210346358-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON INC (US) 2021-11-11 US disclosed
CN-111732535-B Photochemical synthesis method of heteroaryl amine compound 天津凯莱英制药有限公司 2021-03-12 CN disclosed
CN-111732535-A Photochemical synthesis method of heteroaryl amine compound 天津凯莱英制药有限公司 2020-10-02 CN disclosed
US-10426760-B2 Compounds and methods for kinase modulation, and indications therefor PLEXXIKON INC. (US) 2019-10-01 US disclosed
US-20190209536-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON INC. 2019-07-11 US disclosed
US-20190175567-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON INC. 2019-06-13 US disclosed
US-9844539-B2 Compounds and methods for kinase modulation, and indications therefor PLEXXIKON INC. (US) 2017-12-19 US disclosed
US-9844539-B2 Compounds and methods for kinase modulation, and indications therefor PLEXXIKON INC. (US) 2017-12-19 US disclosed
US-9844539-B2 Compounds and methods for kinase modulation, and indications therefor PLEXXIKON INC. (US) 2017-12-19 US disclosed
EP-2170830-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON, INC. (US) 2010-04-07 EP disclosed
EP-2069020-B1 BENZO[D]ISOXAZOLE DERIVATIVES AS C-KIT TYROSINE KINASE INHIBITORS FOR THE TREATMENT OF DISORDERS ASSOCIATED WITH THE OVER PRODUCTION OF HISTAMINE AMGEN INC (US) 2010-01-27 EP disclosed
EP-2069020-A2 BENZO[D]ISOXAZOLE DERIVATIVES AS C-KIT TYROSINE KINASE INHIBITORS FOR THE TREATMENT OF DISORDERS ASSOCIATED WITH THE OVER PRODUCTION OF HISTAMINE Amgen Inc. (US) 2009-06-17 EP disclosed
WO-2009012283-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON INC. (US) 2009-01-22 WO disclosed
WO-2009012283-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON INC. (US) 2009-01-22 WO disclosed
US-20080312226-A1 Amide Compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-12-18 US disclosed
US-20080227779-A1 Heterocyclic compounds and methods of use AMGEN INC. (US) 2008-09-18 US disclosed
WO-2008011080-A2 BENZO(D) ISOXAZOLE DERIVATIVES AS C-KIT TYROSINE KINASE INHIBITORS FOR THE TREATMENT OF DISORDERS ASSOCIATED WITH THE OVER PRODUCTION OF HISTAMINE AMGEN INC. (US) 2008-01-24 WO disclosed
CN-101103007-A Amide compound TAKEDA PHARMACEUTICAL (JP) 2008-01-09 CN disclosed
EP-1813606-A1 AMIDE COMPOUND Takeda Pharmaceutical Company Limited (JP) 2007-08-01 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 (7 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-20210346358-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR MAP3K20, MAP3K13, MAP3K8 CYP1A2 4730/4885GAA 990/4885SMN1; SMN2 1839/4885
US-20080312226-A1 Amide Compound FAAH, FAAH2, CNR2 CYP1A2 182/4885GAA 4430/4885SMN1; SMN2 2454/4885
US-20080227779-A1 Heterocyclic compounds and methods of use KIT, TPSG1, CMA1 CYP1A2 2255/4885GAA 885/4885SMN1; SMN2 4479/4885
US-20210353602-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR MAP3K20, MAP3K13, MAP3K8 CYP1A2 4730/4885GAA 990/4885SMN1; SMN2 1839/4885
US-10426760-B2 Compounds and methods for kinase modulation, and indications therefor MAP3K20, MAP3K13, MAP3K8 CYP1A2 4730/4885GAA 990/4885SMN1; SMN2 1839/4885
US-20190209536-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR MAP3K20, MAP3K13, MAP3K8 CYP1A2 4730/4885GAA 990/4885SMN1; SMN2 1839/4885
US-20190175567-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR MAP3K20, MAP3K13, MAP3K8 CYP1A2 4730/4885GAA 990/4885SMN1; SMN2 1839/4885

“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.