SCHEMBL4428487

SCHEMBL4428487

Cc1ccnc(C(C)N)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOS2 P35228 3/20 0.50
KDM4E B2RXH2 3/20 0.50
NOS3 P29474 2/20 0.50
NOS1 P29475 2/20 0.50
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
UHRF1 Q96T88 1/20 0.48
CCR1 P32246 1/20 0.48
CCR5 P51681 1/20 0.48
CCR8 P51685 1/20 0.48
PLAU P00749 1/20 0.41
CXCR4 P61073 1/20 0.39
ALDH1A1 P00352 2/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
HRH1 P35367 1/20 0.36
FDPS P14324 1/20 0.36
CYP2A6 P11509 1/20 0.35
METAP2 P50579 1/20 0.35
KDR P35968 2/20 0.35
MAP4K4 O95819 1/20 0.35

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
SCHEMBL28749349 1.00 NOS2 (0.50) NOS2KDM4ENOS3NOS1MEN1
Hydrochloric Acid SCHEMBL31482081 0.98 NOS2 (0.48) NOS2KDM4ENOS3NOS1MEN1
Acetic Acid SCHEMBL9377676 0.91 KDM4E (0.42) NOS2KDM4ENOS3NOS1MEN1
SCHEMBL179530 0.82 UHRF1 (0.52) NOS2KDM4ENOS3NOS1MEN1
SCHEMBL29453940 0.82 UHRF1 (0.52) NOS2KDM4ENOS3NOS1MEN1
SCHEMBL6505891 0.79 NOS2 (0.42) NOS2KDM4ENOS3NOS1MEN1
SCHEMBL14584178 0.79 MEN1 (0.42) NOS2KDM4ENOS3NOS1MEN1
SCHEMBL18149357 0.78 UHRF1 (0.48) NOS2KDM4ENOS3NOS1MEN1
SCHEMBL643383 0.78 UHRF1 (0.48) NOS2KDM4ENOS3NOS1MEN1
SCHEMBL15491238 0.78 UHRF1 (0.48) NOS2KDM4ENOS3NOS1MEN1

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 15 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114539137-B Chiral alpha-heteroaryl amine and preparation method thereof 河北工业大学 2023-06-23 CN disclosed
CN-108929263-B Arylamide Kv2.1 inhibitor and preparation method, pharmaceutical composition and application thereof 中国医学科学院药物研究所 2022-07-22 CN disclosed
CN-114539137-A Chiral alpha- (hetero) arylamines and preparation method thereof 河北工业大学 2022-05-27 CN disclosed
CN-111108092-A Arylamide Kv2.1 inhibitor and preparation method, pharmaceutical composition and application thereof 中国医学科学院药物研究所 2020-05-05 CN disclosed
WO-2019074979-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF GIRAFPHARMA, LLC (US) 2019-04-18 WO disclosed
US-9629831-B2 Benzamides and related inhibitors of factor XA MILLENNIUM PHARMACEUTICALS, INC. (US) 2017-04-25 US disclosed
US-20160317511-A1 BENZAMIDES AND RELATED INHIBITORS OF FACTOR XA COR THERAPEUTICS, INC. 2016-11-03 US disclosed
US-7635775-B2 Sulfonylquinoxalone derivatives and related compounds as bradykinin antagonists ELAN PHARMACEUTICALS, INC. (US) 2009-12-22 US disclosed
US-7183281-B2 Sulfonylquinoxalone derivatives and related compounds as bradykinin antagonists ELAN PHARMACEUTICALS, INC. (US) 2007-02-27 US disclosed
US-20060293332-A1 Sulfonylquinoxalone derivatives and related compounds as bradykinin antagonists ELAN PHARMACEUTICALS, INC. 2006-12-28 US disclosed
US-7056937-B2 Sulfonylquinoxalone derivatives as bradykinin antagonists ELAN PHARMACEUTICALS, INC. (US) 2006-06-06 US disclosed
EP-1501807-A1 SULFONYLQUINOXALONE ACETAMIDE DERIVATIVES AND RELATED COMPOUNDS AS BRADYKININ ANTAGONISTS Elan Pharmaceuticals, Inc. (US) 2005-02-02 EP disclosed
US-20040147520-A1 Sulfonylquinoxalone acetamide derivatives and related compounds as bradykinin antagonists ELAN PHARMACEUTICALS, INC. 2004-07-29 US disclosed
US-20040147519-A1 Sulfonylquinoxalone acetamide derivatives as bradykinin antagonists ELAN PHARMACEUTICALS, INC. 2004-07-29 US disclosed
WO-2003093245-A1 SULFONYLQUINOXALONE ACETAMIDE DERIVATIVES AND RELATED COMPOUNDS AS BRADYKININ ANTAGONISTS ELAN PHARMACEUTICALS, INC. (US) 2003-11-13 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 (4 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-20060293332-A1 Sulfonylquinoxalone derivatives and related compounds as bradykinin antagonists BDKRB2, BDKRB1, PDXK NOS2 1981/4885KDM4E 3303/4885NOS3 1413/4885
US-20040147519-A1 Sulfonylquinoxalone acetamide derivatives as bradykinin antagonists BDKRB2, BDKRB1, HRH2 NOS2 1501/4885KDM4E 3082/4885NOS3 1330/4885
US-20160317511-A1 BENZAMIDES AND RELATED INHIBITORS OF FACTOR XA TFPI, F12, TFPI2 NOS2 3484/4885KDM4E 1933/4885NOS3 3372/4885
US-20040147520-A1 Sulfonylquinoxalone acetamide derivatives and related compounds as bradykinin antagonists BDKRB2, BDKRB1, PDXK NOS2 1692/4885KDM4E 3560/4885NOS3 1358/4885

“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.