SCHEMBL16657358

SCHEMBL16657358

CC(C)(C)n1c(=O)[nH]c2cnccc21

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
DAO P14920 2/20 0.47
FEN1 P39748 1/20 0.41
ADORA3 P0DMS8 2/20 0.40
ADORA2A P29274 2/20 0.40
ADORA1 P30542 2/20 0.40
TNKS O95271 7/20 0.39
TNKS2 Q9H2K2 1/20 0.37
PARP1 P09874 2/20 0.37
PDE3B Q13370 1/20 0.36
PDE3A Q14432 1/20 0.36
KDM5A P29375 2/20 0.36
TGFBR1 P36897 2/20 0.35
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34

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
SCHEMBL27438347 0.86 DAO (0.60) DAOFEN1ADORA3ADORA2AADORA1
SCHEMBL22017505 0.82 ADORA3 (0.50) DAOFEN1ADORA3ADORA2AADORA1
SCHEMBL22017503 0.79 FEN1 (0.60) DAOFEN1ADORA3ADORA2AADORA1
SCHEMBL4312246 0.79 DAO (0.50) DAOFEN1ADORA3ADORA2AADORA1
SCHEMBL24408251 0.75 DAO (0.54) DAOFEN1ADORA3ADORA2AADORA1
SCHEMBL9330066 0.75 DAO (0.50) DAOFEN1ADORA3ADORA2AADORA1
SCHEMBL8229881 0.75 POLB (0.60) DAOFEN1TNKSPARP1
SCHEMBL16455933 0.74 TNKS (0.51) DAOFEN1TNKSTNKS2TGFBR1
SCHEMBL1268409 0.74 DAO (0.55) DAOADORA3ADORA2AADORA1PARP1
Hydrochloric Acid SCHEMBL9432685 0.74 DAO (0.49) DAOFEN1ADORA3ADORA2AADORA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9845321-B2 1,3-dihydro-2H-benzimidazol-2-one derivatives substituted with heterocycles as respiratory syncytial virus antiviral agents JANSSEN SCIENCES IRELAND UC (IE) 2017-12-19 US disclosed
US-9845321-B2 1,3-dihydro-2H-benzimidazol-2-one derivatives substituted with heterocycles as respiratory syncytial virus antiviral agents JANSSEN SCIENCES IRELAND UC (IE) 2017-12-19 US disclosed
EP-2864323-B1 1,3-DIHYDRO-2H-BENZIMIDAZOL-2-ONE DERIVATIVES SUBSTITUTED WITH HETEROCYCLES AS RESPIRATORY SYNCYTIAL VIRUS ANTIVIRAL AGENTS JANSSEN SCIENCES IRELAND UC (IE) 2017-04-19 EP disclosed
US-20160122346-A1 NOVEL 1,3-DIHYDRO-2H-BENZIMIDAZOL-2-ONE DERIVATIVES SUBSTITUTED WITH HETEROCYCLES AS RESPIRATORY SYNCYTIAL VIRUS ANTIVIRAL AGENTS JANSSEN PHARMACEUTICA NV (BE) 2016-05-05 US disclosed
US-20160122346-A1 NOVEL 1,3-DIHYDRO-2H-BENZIMIDAZOL-2-ONE DERIVATIVES SUBSTITUTED WITH HETEROCYCLES AS RESPIRATORY SYNCYTIAL VIRUS ANTIVIRAL AGENTS JANSSEN PHARMACEUTICA NV (BE) 2016-05-05 US disclosed
US-20150166533-A1 NOVEL 1,3-DIHYDRO-2H-BENZIMIDAZOL-2-ONE DERIVATIVES SUBSTITUTED WITH BENZIMIDAZOLES AS RESPIRATORY SYNCYTIAL VIRUS ANTIVIRAL AGENTS JANSSEN R&D IRELAND (US) 2015-06-18 US disclosed
US-20150166533-A1 NOVEL 1,3-DIHYDRO-2H-BENZIMIDAZOL-2-ONE DERIVATIVES SUBSTITUTED WITH BENZIMIDAZOLES AS RESPIRATORY SYNCYTIAL VIRUS ANTIVIRAL AGENTS JANSSEN R&D IRELAND (US) 2015-06-18 US disclosed
US-20150111868-A1 NOVEL 1,3-DIHYDRO-2H-BENZIMIDAZOL-2-ONE DERIVATIVES SUBSTITUTED WITH HETEROCYCLES AS RESPIRATORY SYNCYTIAL VIRUS ANTIVIRAL AGENTS JANSEN R&D IRELAND (US) 2015-04-23 US disclosed
US-20150111868-A1 NOVEL 1,3-DIHYDRO-2H-BENZIMIDAZOL-2-ONE DERIVATIVES SUBSTITUTED WITH HETEROCYCLES AS RESPIRATORY SYNCYTIAL VIRUS ANTIVIRAL AGENTS JANSEN R&D IRELAND (US) 2015-04-23 US 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 (3 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-20150166533-A1 NOVEL 1,3-DIHYDRO-2H-BENZIMIDAZOL-2-ONE DERIVATIVES SUBSTITUTED WITH BENZIMIDAZOLES AS RESPIRATORY SYNCYTIAL VIRUS ANTIVIRAL AGENTS ZC3HAV1, ZC3HAV1L, SARS1 DAO 1854/4885FEN1 1998/4885ADORA3 1155/4885
US-20160122346-A1 NOVEL 1,3-DIHYDRO-2H-BENZIMIDAZOL-2-ONE DERIVATIVES SUBSTITUTED WITH HETEROCYCLES AS RESPIRATORY SYNCYTIAL VIRUS ANTIVIRAL AGENTS ZC3HAV1, ZC3HAV1L, HELZ DAO 2045/4885FEN1 2181/4885ADORA3 1332/4885
US-20150111868-A1 NOVEL 1,3-DIHYDRO-2H-BENZIMIDAZOL-2-ONE DERIVATIVES SUBSTITUTED WITH HETEROCYCLES AS RESPIRATORY SYNCYTIAL VIRUS ANTIVIRAL AGENTS ZC3HAV1, ZC3HAV1L, HELZ DAO 2045/4885FEN1 2181/4885ADORA3 1332/4885

“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.