SCHEMBL2373561

SCHEMBL2373561

CC(C)n1nc([N+](=O)[O-])cc1C(=O)O

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.39
ALDH1A1 P00352 2/20 0.39
GAA P10253 1/20 0.39
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
NPC1 O15118 1/20 0.36
RXFP1 Q9HBX9 1/20 0.36
F2 P00734 3/20 0.35
PLAU P00749 3/20 0.35
KLKB1 P03952 3/20 0.35
ELANE P08246 3/20 0.35
HCAR3 P49019 2/20 0.34
HPGD P15428 1/20 0.34
HCAR2 Q8TDS4 1/20 0.34
POLB P06746 2/20 0.34
LMNA P02545 2/20 0.33

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
SCHEMBL19010740 0.87 HTT (0.36) HTTALDH1A1MEN1KMT2ANPC1
SCHEMBL17796442 0.84 HTT (0.36) HTTALDH1A1GAAMEN1KMT2A
SCHEMBL29625026 0.83 MEN1 (0.37) HTTALDH1A1GAAMEN1KMT2A
SCHEMBL21960887 0.83 BRD4 (0.43) HTTALDH1A1GAAMEN1KMT2A
SCHEMBL19027056 0.80 MITF (0.40) HTTALDH1A1NPC1ELANEHPGD
SCHEMBL2119388 0.78 KDM4E (0.50) HTTALDH1A1GAAMEN1KMT2A
SCHEMBL19010745 0.78 L3MBTL1 (0.49) ALDH1A1MEN1KMT2AHPGD
SCHEMBL21961348 0.78 BRD4 (0.46) HTTALDH1A1LMNA
SCHEMBL2372926 0.77 HTT (0.45) HTTALDH1A1GAAMEN1KMT2A
SCHEMBL15767909 0.77 HTT (0.36) HTTALDH1A1MEN1KMT2ANPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102791714-B N-(imidazopyrimidin-7-yl)-heteroarylamide derivatives and their use as PDE10A inhibitors HOFFMANN LA ROCHE 2015-03-25 CN claimed
EP-2552918-B1 N-(IMIDAZOPYRIMIDIN-7-YL)-HETEROARYLAMIDE DERIVATIVES AND THEIR USE AS PDE10A INHIBITORS HOFFMANN LA ROCHE (CH) 2014-06-11 EP claimed
US-8410117-B2 Imidazopyrimidine derivatives HOFFMANN-LA ROCHE INC. (US) 2013-04-02 US claimed
EP-2552918-A1 N-(IMIDAZOPYRIMIDIN-7-YL)-HETEROARYLAMIDE DERIVATIVES AND THEIR USE AS PDE10A INHIBITORS F. Hoffmann-La Roche AG (CH) 2013-02-06 EP claimed
CN-102791714-A N-(imidazopyrimidin-7-yl)-heteroarylamide derivatives and their use as PDE10A inhibitors HOFFMANN LA ROCHE 2012-11-21 CN claimed
CN-109641882-B Heteroaromatic derivatives as NIK inhibitors 杨森制药有限公司 2022-10-28 CN disclosed
US-11136311-B2 Heteroaromatic derivatives as NIK inhibitors JANSSEN PHARMACEUTICA NV (BE) 2021-10-05 US disclosed
EP-3478675-B1 HETEROAROMATIC DERIVATIVES AS NIK INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2020-04-22 EP disclosed
EP-3478675-A1 HETEROAROMATIC DERIVATIVES AS NIK INHIBITORS Janssen Pharmaceutica N.V. (BE) 2019-05-08 EP disclosed
WO-2018002217-A1 HETEROAROMATIC DERIVATIVES AS NIK INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2018-01-04 WO disclosed
CN-102791714-B N-(imidazopyrimidin-7-yl)-heteroarylamide derivatives and their use as PDE10A inhibitors HOFFMANN LA ROCHE 2015-03-25 CN disclosed
EP-2552918-B1 N-(IMIDAZOPYRIMIDIN-7-YL)-HETEROARYLAMIDE DERIVATIVES AND THEIR USE AS PDE10A INHIBITORS HOFFMANN LA ROCHE (CH) 2014-06-11 EP disclosed
US-8410117-B2 Imidazopyrimidine derivatives HOFFMANN-LA ROCHE INC. (US) 2013-04-02 US disclosed
EP-2552918-A1 N-(IMIDAZOPYRIMIDIN-7-YL)-HETEROARYLAMIDE DERIVATIVES AND THEIR USE AS PDE10A INHIBITORS F. Hoffmann-La Roche AG (CH) 2013-02-06 EP disclosed
CN-102791714-A N-(imidazopyrimidin-7-yl)-heteroarylamide derivatives and their use as PDE10A inhibitors HOFFMANN LA ROCHE 2012-11-21 CN disclosed
US-20110237564-A1 IMIDAZOPYRIMIDINE DERIVATIVES HOFFMANN-LA ROCHE INC. 2011-09-29 US disclosed
WO-2011117264-A1 N-(IMIDAZOPYRIMIDIN-7-YL)-HETEROARYLAMIDE DERIVATIVES AND THEIR USE AS PDE10A INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2011-09-29 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 (2 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-20110237564-A1 IMIDAZOPYRIMIDINE DERIVATIVES PDE5A, PDE3B, PDE3A HTT 4569/4885ALDH1A1 105/4885GAA 984/4885
US-11136311-B2 Heteroaromatic derivatives as NIK inhibitors NFKBIA, IKBKG, IKBKE HTT 2659/4885ALDH1A1 3872/4885GAA 1383/4885

“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.