SCHEMBL2373603

SCHEMBL2373603

O=C(O)c1cc([N+](=O)[O-])nn1C1CCCC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCAR3 P49019 5/20 0.38
POLB P06746 1/20 0.36
HTT P42858 1/20 0.34
PTGS2 P35354 1/20 0.33
ALDH1A1 P00352 3/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
HSD17B10 Q99714 1/20 0.33
GAA P10253 1/20 0.33
F2 P00734 1/20 0.33
PLAU P00749 1/20 0.33
KLKB1 P03952 1/20 0.33
ELANE P08246 1/20 0.33
MAPK13 O15264 1/20 0.32
MAPK12 P53778 1/20 0.32
MAPK11 Q15759 1/20 0.32
MAPK14 Q16539 1/20 0.32
CNR1 P21554 1/20 0.32
CNR2 P34972 1/20 0.32
RHOA P61586 1/20 0.32

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
SCHEMBL21960936 0.83 PKM (0.40) POLBALDH1A1MEN1KMT2AMAPT
SCHEMBL21960367 0.83 OPRK1 (0.39) POLBPTGS2ALDH1A1MEN1KMT2A
SCHEMBL15767938 0.79 POLB (0.34) HCAR3POLBHTTPTGS2ALDH1A1
SCHEMBL25400204 0.75 KCNJ3 (0.45) HCAR3ALDH1A1HSD17B10
SCHEMBL21964572 0.75 CMKLR1 (0.33) HCAR3POLBHTTPTGS2ALDH1A1
SCHEMBL29058235 0.73 KMO (0.45) HCAR3HTTKMT2AHSD17B10GAA
SCHEMBL21964588 0.73 HCAR3 (0.40) HCAR3ALDH1A1HSD17B10GAAMAPK13
SCHEMBL9682398 0.72 KCNJ3 (0.43) HCAR3
SCHEMBL2119388 0.71 KDM4E (0.50) HTTALDH1A1MEN1KMT2AGAA
Hydrochloric Acid SCHEMBL9681843 0.71 KCNJ3 (0.42) HCAR3

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 13 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
EP-3478675-B1 HETEROAROMATIC DERIVATIVES AS NIK INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2020-04-22 EP 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 (1 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 HCAR3 1251/4885POLB 2003/4885HTT 4569/4885

“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.