SCHEMBL9977927

SCHEMBL9977927

O=c1n(Cc2nc3cnccc3n2CCCCO)c2cnccc2n1C1CC1

nearest known ligand 0.87

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 10/20 0.87
TNKS O95271 1/20 0.37
CYP2D6 P10635 8/20 0.36
MAPT P10636 1/20 0.35
RPS6KA5 O75582 1/20 0.34
CACNA1G O43497 1/20 0.34
CACNA1H O95180 1/20 0.34
POLB P06746 1/20 0.34
TSHR P16473 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
SCHEMBL29413237 0.93 CYP3A4 (1.00) CYP3A4TNKSCYP2D6MAPTCACNA1G
SCHEMBL3822776 0.93 CYP3A4 (1.00) CYP3A4TNKSCYP2D6MAPTCACNA1G
SCHEMBL6245908 0.88 CYP3A4 (0.74) CYP3A4
SCHEMBL6243656 0.87 CYP3A4 (0.73) CYP3A4TNKSCYP2D6
SCHEMBL16696055 0.86 CYP3A4 (0.80) CYP3A4TNKSCYP2D6MAPTCACNA1G
SCHEMBL16558631 0.85 CYP3A4 (0.70) CYP3A4TNKSCYP2D6
SCHEMBL9977963 0.85 CYP3A4 (0.70) CYP3A4TNKSCYP2D6
SCHEMBL9978078 0.85 CYP3A4 (0.70) CYP3A4TNKSCYP2D6MAPTTSHR
SCHEMBL9977846 0.85 CYP3A4 (0.70) CYP3A4TNKSCYP2D6MAPTCACNA1G
SCHEMBL9977859 0.85 CYP3A4 (0.70) CYP3A4TNKSCYP2D6MAPT

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-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
EP-2651933-B1 AZABENZIMIDAZOLES AS RESPIRATORY SYNCYTIAL VIRUS ANTIVIRAL AGENTS JANSSEN SCIENCES IRELAND UC (IE) 2016-03-16 EP 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
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 (2 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 167/4885TNKS 2569/4885CYP2D6 700/4885
US-20130261151-A1 AZABENZIMIDAZOLES AS RESPIRATORY SYNCYTIAL VIRUS ANTIVIRAL AGENTS ZC3HAV1, AZI2, ZC3HAV1L CYP3A4 149/4885TNKS 2375/4885CYP2D6 639/4885

“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.