SCHEMBL9977943

SCHEMBL9977943

CC(C)CCn1c(Cn2c(=O)n(C3CC3)c3ccncc32)nc2cccnc21

nearest known ligand 0.58

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 3/20 0.58
TP53 P04637 2/20 0.43
TNKS O95271 1/20 0.39
OPRL1 P41146 6/20 0.37
CYP2D6 P10635 2/20 0.37
OPRM1 P35372 4/20 0.36
TSHR P16473 2/20 0.35
MAPK1 P28482 1/20 0.35
SLC6A9 P48067 1/20 0.34
ALDH1A1 P00352 1/20 0.34
HSD17B10 Q99714 1/20 0.34
CCR5 P51681 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
SCHEMBL15293737 0.89 CYP3A4 (0.54) CYP3A4TNKSOPRL1CYP2D6OPRM1
SCHEMBL9978031 0.87 CYP3A4 (0.57) CYP3A4TNKSOPRL1CYP2D6OPRM1
SCHEMBL9977944 0.87 CYP3A4 (0.51) CYP3A4TNKSOPRL1CYP2D6OPRM1
SCHEMBL9978113 0.87 CYP3A4 (0.64) CYP3A4TNKSOPRL1CYP2D6OPRM1
SCHEMBL9977960 0.87 CYP3A4 (0.66) CYP3A4TNKSOPRL1CYP2D6OPRM1
SCHEMBL9978021 0.85 CYP3A4 (0.50) CYP3A4TNKSOPRL1CYP2D6OPRM1
SCHEMBL9977921 0.85 CYP3A4 (0.51) CYP3A4TNKSOPRL1CYP2D6OPRM1
SCHEMBL9978047 0.85 CYP3A4 (0.49) CYP3A4TNKSOPRL1CYP2D6OPRM1
SCHEMBL9977920 0.85 CYP3A4 (0.51) CYP3A4TNKSOPRL1CYP2D6OPRM1
SCHEMBL15302609 0.84 CYP3A4 (0.45) CYP3A4TNKSOPRL1CYP2D6OPRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9890178-B2 Azabenzimidazoles as respiratory syncytial virus antiviral agents JANSSEN SCIENCES IRELAND UC (IE) 2018-02-13 US disclosed
US-9890178-B2 Azabenzimidazoles as respiratory syncytial virus antiviral agents JANSSEN SCIENCES IRELAND UC (IE) 2018-02-13 US disclosed
US-9890178-B2 Azabenzimidazoles as respiratory syncytial virus antiviral agents JANSSEN SCIENCES IRELAND UC (IE) 2018-02-13 US disclosed
US-20160237096-A1 AZABENZIMIDAZOLES AS RESPIRATORY SYNCYTIAL VIRUS ANTIVIRAL AGENTS JANSSEN SCIENCES IRELAND UC (IE) 2016-08-18 US disclosed
US-20160237096-A1 AZABENZIMIDAZOLES AS RESPIRATORY SYNCYTIAL VIRUS ANTIVIRAL AGENTS JANSSEN SCIENCES IRELAND UC (IE) 2016-08-18 US disclosed
US-20160237096-A1 AZABENZIMIDAZOLES AS RESPIRATORY SYNCYTIAL VIRUS ANTIVIRAL AGENTS JANSSEN SCIENCES IRELAND UC (IE) 2016-08-18 US disclosed
US-9321767-B2 Azabenzimidazoles as respiratory syncytial virus antiviral agents JANSSEN SCIENCES IRELAND UC (IE) 2016-04-26 US disclosed
US-9321767-B2 Azabenzimidazoles as respiratory syncytial virus antiviral agents JANSSEN SCIENCES IRELAND UC (IE) 2016-04-26 US disclosed
US-9321767-B2 Azabenzimidazoles as respiratory syncytial virus antiviral agents JANSSEN SCIENCES IRELAND UC (IE) 2016-04-26 US disclosed
EP-2651933-B1 AZABENZIMIDAZOLES AS RESPIRATORY SYNCYTIAL VIRUS ANTIVIRAL AGENTS JANSSEN SCIENCES IRELAND UC (IE) 2016-03-16 EP disclosed
EP-2651933-B1 AZABENZIMIDAZOLES AS RESPIRATORY SYNCYTIAL VIRUS ANTIVIRAL AGENTS JANSSEN SCIENCES IRELAND UC (IE) 2016-03-16 EP disclosed
US-20150073012-A1 AZABENZIMIDAZOLES AS RESPIRATORY SYNCYTIAL VIRUS ANTIVIRAL AGENTS JANSSEN SCIENCES IRELAND UC (IE) 2015-03-12 US disclosed
US-20150073012-A1 AZABENZIMIDAZOLES AS RESPIRATORY SYNCYTIAL VIRUS ANTIVIRAL AGENTS JANSSEN SCIENCES IRELAND UC (IE) 2015-03-12 US disclosed
US-20150073012-A1 AZABENZIMIDAZOLES AS RESPIRATORY SYNCYTIAL VIRUS ANTIVIRAL AGENTS JANSSEN SCIENCES IRELAND UC (IE) 2015-03-12 US disclosed
US-8927720-B2 Azabenzimidazoles as respiratory syncytial virus antiviral agents JANSSEN R&D IRELAND (IE) 2015-01-06 US disclosed
US-8927720-B2 Azabenzimidazoles as respiratory syncytial virus antiviral agents JANSSEN R&D IRELAND (IE) 2015-01-06 US disclosed
US-8927720-B2 Azabenzimidazoles as respiratory syncytial virus antiviral agents JANSSEN R&D IRELAND (IE) 2015-01-06 US disclosed
US-20130261151-A1 AZABENZIMIDAZOLES AS RESPIRATORY SYNCYTIAL VIRUS ANTIVIRAL AGENTS JANSSEN R & D IRELAND (IE) 2013-10-03 US disclosed
US-20130261151-A1 AZABENZIMIDAZOLES AS RESPIRATORY SYNCYTIAL VIRUS ANTIVIRAL AGENTS JANSSEN R & D IRELAND (IE) 2013-10-03 US disclosed
WO-2012080449-A1 AZABENZIMIDAZOLES AS RESPIRATORY SYNCYTIAL VIRUS ANTIVIRAL AGENTS JANSSEN R&D IRELAND (IE) 2012-06-21 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 (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-20160237096-A1 AZABENZIMIDAZOLES AS RESPIRATORY SYNCYTIAL VIRUS ANTIVIRAL AGENTS AZI2, ZC3HAV1, ZC3HAV1L CYP3A4 167/4885TP53 2157/4885TNKS 2569/4885
US-20150073012-A1 AZABENZIMIDAZOLES AS RESPIRATORY SYNCYTIAL VIRUS ANTIVIRAL AGENTS ZC3HAV1, AZI2, ZC3HAV1L CYP3A4 149/4885TP53 1918/4885TNKS 2375/4885
US-20130261151-A1 AZABENZIMIDAZOLES AS RESPIRATORY SYNCYTIAL VIRUS ANTIVIRAL AGENTS ZC3HAV1, AZI2, ZC3HAV1L CYP3A4 149/4885TP53 1918/4885TNKS 2375/4885

“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.