SCHEMBL1044152

SCHEMBL1044152

CCN(CC)C(=O)c1cccnc1Cl

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.56
LMNA P02545 1/20 0.56
ALDH1A1 P00352 4/20 0.50
L3MBTL1 Q9Y468 2/20 0.50
KMT2A Q03164 1/20 0.50
MAPT P10636 1/20 0.50
POLB P06746 1/20 0.47
MDM4 O15151 1/20 0.46
MITF O75030 1/20 0.46
HTT P42858 1/20 0.46
MDM2 Q00987 1/20 0.46
ATM Q13315 1/20 0.46
GPR35 Q9HC97 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
ADRA1D P25100 1/20 0.45
ADRA1A P35348 1/20 0.45
ADRA1B P35368 1/20 0.45
CYP1A2 P05177 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44

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
SCHEMBL9364204 0.85 SMN1; SMN2 (0.54) SMN1; SMN2LMNAALDH1A1L3MBTL1KMT2A
SCHEMBL6380157 0.81 ADRA1D (0.46) ALDH1A1L3MBTL1MAPTATMADRA1D
SCHEMBL6644379 0.81 P2RX7 (0.56) ALDH1A1L3MBTL1MAPTATMTDP1
SCHEMBL2572955 0.81 NAPRT (0.58) ALDH1A1L3MBTL1MAPTATMADRA1D
SCHEMBL8237046 0.81 SMN1; SMN2 (0.61) SMN1; SMN2LMNAALDH1A1L3MBTL1KMT2A
SCHEMBL2201670 0.81 SMN1; SMN2 (0.61) SMN1; SMN2LMNAL3MBTL1KMT2APOLB
SCHEMBL17007538 0.80 HCRTR1 (0.46) ALDH1A1L3MBTL1MAPTATMADRA1D
SCHEMBL9359025 0.80 KEAP1 (0.48) ALDH1A1L3MBTL1MAPTATMADRA1D
SCHEMBL8647199 0.80 LMNA (0.51) SMN1; SMN2LMNAALDH1A1L3MBTL1KMT2A
SCHEMBL14498467 0.79 LMNA (0.44) SMN1; SMN2LMNAALDH1A1KMT2AMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115260092-B Synthesis method of 2-chloronicotinamide and N-substituted derivative thereof 山东京博生物科技有限公司 2023-08-25 CN disclosed
CN-115260092-A Synthesis method of 2-chloronicotinamide and N-substituted derivative thereof 山东京博生物科技有限公司 2022-11-01 CN disclosed
US-8835423-B2 Azepine inhibitors of janus kinases INCYTE CORPORATION (US) 2014-09-16 US disclosed
US-20140031344-A1 AZEPINE INHIBITORS OF JANUS KINASES INCYTE CORPORATION (US) 2014-01-30 US disclosed
US-8563541-B2 Azepine inhibitors of Janus kinases INCYTE CORPORATION (US) 2013-10-22 US disclosed
US-8349827-B2 Substituted dipyrido-pyrimido-diazepine and benzo-pyrido-pyrimido compounds ARQULE, INC. (US) 2013-01-08 US disclosed
US-20120329782-A1 AZEPINE INHIBITORS OF JANUS KINASES INCYTE CORPORATION (US) 2012-12-27 US disclosed
EP-2270014-A1 Azepine inhibitors of janus kinases Incyte Corporation (US) 2011-01-05 EP disclosed
US-20100249108-A1 SUBSTITUTED DIPYRIDO-PYRIMIDO-DIAZEPINE AND BENZO-PYRIDO-PYRIMIDO COMPOUNDS ARQULE, INC. (US) 2010-09-30 US disclosed
US-20090197869-A1 AZEPINE INHIBITORS OF JANUS KINASES INCYTE CORPORATION, A DELAWARE CORPORATION 2009-08-06 US disclosed
WO-2007038215-A1 TETRACYCLIC INHIBITORS OF JANUS KINASES INCYTE CORPORATION (US) 2007-04-05 WO disclosed
US-5688795-A URINARY TRACTS OBSTRUCTION SYNTEX (U.S.A.) INC. (US) 1997-11-18 US disclosed
EP-0711757-A1 3-(4-phenylpiperazin-1-yl)propyl-amino, thio and oxy -pyridine, pyrimidine and benzene derivatives as alpha1-adrenoceptor antagonists F. Hoffmann-La Roche AG (CH) 1996-05-15 EP disclosed
EP-0532058-B1 Process for preparing halogenosulfonyl-substituted pyridine compounds ISHIHARA SANGYO KAISHA (JP) 1994-12-14 EP disclosed
EP-0298752-B1 Mercapto-substituted pyridine compounds and process for preparing the same ISHIHARA SANGYO KAISHA (JP) 1994-02-02 EP disclosed
EP-0532058-A1 Process for preparing halogenosulfonyl-substituted pyridine compounds ISHIHARA SANGYO KAISHA, LTD. (JP) 1993-03-17 EP disclosed
US-5168113-A Intermediates for herbicides ISHIHARA SANGYO KAISHA LTD. (JP) 1992-12-01 US disclosed
US-5128474-A Herbicides ISHIHARA SANGYO KAISHA LTD. (JP) 1992-07-07 US disclosed
US-5079363-A From an alkoxypyridine and an indole derivative, antitumor and antileukemia agents SANOFI (FR) 1992-01-07 US disclosed
EP-0298752-A2 Mercapto-substituted pyridine compounds and process for preparing the same ISHIHARA SANGYO KAISHA, LTD. (JP) 1989-01-11 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 (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-20120329782-A1 AZEPINE INHIBITORS OF JANUS KINASES JAK1, JAK3, JAK2 SMN1; SMN2 3556/4885LMNA 4785/4885ALDH1A1 3705/4885
US-20100249108-A1 SUBSTITUTED DIPYRIDO-PYRIMIDO-DIAZEPINE AND BENZO-PYRIDO-PYRIMIDO COMPOUNDS PDXK, DPYD, DHFR SMN1; SMN2 1175/4885LMNA 2600/4885ALDH1A1 873/4885
US-20090197869-A1 AZEPINE INHIBITORS OF JANUS KINASES JAK1, JAK3, JAK2 SMN1; SMN2 3556/4885LMNA 4785/4885ALDH1A1 3705/4885
US-20140031344-A1 AZEPINE INHIBITORS OF JANUS KINASES JAK1, JAK3, JAK2 SMN1; SMN2 3556/4885LMNA 4785/4885ALDH1A1 3705/4885

“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.