SCHEMBL9974836

SCHEMBL9974836

NC(=O)c1c(Cn2c(=O)n(C3CC3)c3ccncc32)n(CCCCF)c2ccc(Cl)cc12

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 7/20 0.46
CYP2D6 P10635 6/20 0.38
TNKS O95271 1/20 0.35
NAMPT P43490 1/20 0.34
ENPP2 Q13822 1/20 0.34
CTSS P25774 1/20 0.34
CYP1A2 P05177 1/20 0.34
ACVR1B P36896 1/20 0.34
TGFBR1 P36897 1/20 0.34
HTR2B P41595 1/20 0.34
SLC6A3 Q01959 1/20 0.34
SIGMAR1 Q99720 1/20 0.34
MAP3K2 Q9Y2U5 1/20 0.34
HPD P32754 1/20 0.33
DRD2 P14416 1/20 0.33
SLC6A4 P31645 1/20 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
SCHEMBL16696067 0.77 CYP3A4 (0.68) CYP3A4CYP2D6TNKSNAMPTCTSS
SCHEMBL9940544 0.76 CYP3A4 (0.47) CYP3A4CYP2D6TNKS
SCHEMBL9940326 0.76 CYP3A4 (0.56) CYP3A4CYP2D6TNKSNAMPTCTSS
SCHEMBL16806088 0.75 CYP3A4 (0.59) CYP3A4CYP2D6DRD2SLC6A4
SCHEMBL9974827 0.74 CYP3A4 (0.46) CYP3A4CYP2D6TNKSCTSSCYP1A2
SCHEMBL16696061 0.74 CYP3A4 (0.53) CYP3A4CYP2D6NAMPTCTSS
SCHEMBL9941224 0.74 CYP3A4 (0.53) CYP3A4CYP2D6TNKS
SCHEMBL16696145 0.74 CYP3A4 (0.53) CYP3A4CYP2D6TNKSCTSS
SCHEMBL18056523 0.74 CYP3A4 (0.54) CYP3A4CYP2D6TNKS
SCHEMBL9940766 0.73 CYP3A4 (0.58) CYP3A4CYP2D6TNKS

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9944638-B2 Indoles as respiratory syncytial virus antiviral agents JANSSEN SCIENCES IRELAND US (IE) 2018-04-17 US disclosed
US-9944638-B2 Indoles as respiratory syncytial virus antiviral agents JANSSEN SCIENCES IRELAND US (IE) 2018-04-17 US disclosed
US-9944638-B2 Indoles as respiratory syncytial virus antiviral agents JANSSEN SCIENCES IRELAND US (IE) 2018-04-17 US disclosed
US-20160237083-A1 INDOLES AS RESPIRATORY SYNCYTIAL VIRUS ANTIVIRAL AGENTS JANSSEN SCIENCES IRELAND UC (IE) 2016-08-18 US disclosed
US-20160237083-A1 INDOLES AS RESPIRATORY SYNCYTIAL VIRUS ANTIVIRAL AGENTS JANSSEN SCIENCES IRELAND UC (IE) 2016-08-18 US disclosed
US-20160237083-A1 INDOLES AS RESPIRATORY SYNCYTIAL VIRUS ANTIVIRAL AGENTS JANSSEN SCIENCES IRELAND UC (IE) 2016-08-18 US disclosed
US-9321768-B2 Indoles as respiratory syncytial virus antiviral agents JANSSEN SCIENCES IRELAND UC (IE) 2016-04-26 US disclosed
US-9321768-B2 Indoles as respiratory syncytial virus antiviral agents JANSSEN SCIENCES IRELAND UC (IE) 2016-04-26 US disclosed
US-9321768-B2 Indoles as respiratory syncytial virus antiviral agents JANSSEN SCIENCES IRELAND UC (IE) 2016-04-26 US disclosed
EP-2651922-B1 INDOLES AS RESPIRATORY SYNCYTIAL VIRUS ANTIVIRAL AGENTS JANSSEN SCIENCES IRELAND UC (IE) 2016-02-24 EP disclosed
US-20150073013-A1 INDOLES AS RESPIRATORY SYNCYTIAL VIRUS ANTIVIRAL AGENTS JANSSEN SCIENCES IRELAND UC (IE) 2015-03-12 US disclosed
US-20150073013-A1 INDOLES AS RESPIRATORY SYNCYTIAL VIRUS ANTIVIRAL AGENTS JANSSEN SCIENCES IRELAND UC (IE) 2015-03-12 US disclosed
US-20150073013-A1 INDOLES AS RESPIRATORY SYNCYTIAL VIRUS ANTIVIRAL AGENTS JANSSEN SCIENCES IRELAND UC (IE) 2015-03-12 US disclosed
US-8921560-B2 Indoles as respiratory syncytial virus antiviral agents JANSSEN R&D IRELAND (IE) 2014-12-30 US disclosed
US-8921560-B2 Indoles as respiratory syncytial virus antiviral agents JANSSEN R&D IRELAND (IE) 2014-12-30 US disclosed
US-8921560-B2 Indoles as respiratory syncytial virus antiviral agents JANSSEN R&D IRELAND (IE) 2014-12-30 US disclosed
US-20130267555-A1 INDOLES AS RESPIRATORY SYNCYTIAL VIRUS ANTIVIRAL AGENTS JANSSEN R&D IRELAND (IE) 2013-10-10 US disclosed
US-20130267555-A1 INDOLES AS RESPIRATORY SYNCYTIAL VIRUS ANTIVIRAL AGENTS JANSSEN R&D IRELAND (IE) 2013-10-10 US disclosed
US-20130267555-A1 INDOLES AS RESPIRATORY SYNCYTIAL VIRUS ANTIVIRAL AGENTS JANSSEN R&D IRELAND (IE) 2013-10-10 US disclosed
WO-2012080447-A1 INDOLES 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-20160237083-A1 INDOLES AS RESPIRATORY SYNCYTIAL VIRUS ANTIVIRAL AGENTS IDO1, IDO2, INMT CYP3A4 81/4885CYP2D6 409/4885TNKS 1107/4885
US-20150073013-A1 INDOLES AS RESPIRATORY SYNCYTIAL VIRUS ANTIVIRAL AGENTS IDO1, IDO2, INMT CYP3A4 81/4885CYP2D6 409/4885TNKS 1107/4885
US-20130267555-A1 INDOLES AS RESPIRATORY SYNCYTIAL VIRUS ANTIVIRAL AGENTS IDO1, IDO2, INMT CYP3A4 81/4885CYP2D6 409/4885TNKS 1107/4885

“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.