SCHEMBL9977979

SCHEMBL9977979

COC(=O)c1nc2cccnc2n1CCC(C)C

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 6/20 0.45
GAA P10253 2/20 0.45
MAPT P10636 7/20 0.44
HPGD P15428 2/20 0.44
LMNA P02545 3/20 0.43
RXFP1 Q9HBX9 3/20 0.43
STAT3 P40763 1/20 0.43
KDM4E B2RXH2 2/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
ALDH1A1 P00352 1/20 0.43
GLA P06280 1/20 0.43
BLM P54132 1/20 0.43
PPP1CA P62136 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
CNR2 P34972 1/20 0.42
ENPP2 Q13822 1/20 0.42
THRB P10828 1/20 0.42
ALOX15 P16050 1/20 0.41

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
SCHEMBL17161459 0.79 LMNA (0.52) MAPTLMNASTAT3KDM4EMEN1
SCHEMBL27939149 0.78 AKT1 (0.42) TP53GAAMAPTHPGDLMNA
SCHEMBL9977959 0.76 TSHR (0.48) TP53GAAMAPTLMNAENPP2
SCHEMBL6299736 0.72 PDE4B (0.48) TP53MAPTHTT
SCHEMBL9977976 0.72 PDE4B (0.45) TP53MAPTSMN1; SMN2ALDH1A1ENPP2
SCHEMBL7491388 0.68 DRD2 (0.53) TP53MAPTHPGDLMNAKDM4E
SCHEMBL1376936 0.67 CDK4 (0.54) TP53MAPTRXFP1ALDH1A1THRB
SCHEMBL2562669 0.66 MEN1 (0.48) TP53LMNAMEN1KMT2A
SCHEMBL7500640 0.66 LMNA (0.51) TP53GAALMNASTAT3KDM4E
SCHEMBL1378586 0.66 RXFP1 (0.46) TP53MAPTRXFP1ALDH1A1CNR2

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 13 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
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
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-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 TP53 2157/4885GAA 662/4885MAPT 4740/4885
US-20150073012-A1 AZABENZIMIDAZOLES AS RESPIRATORY SYNCYTIAL VIRUS ANTIVIRAL AGENTS ZC3HAV1, AZI2, ZC3HAV1L TP53 1918/4885GAA 563/4885MAPT 4724/4885
US-20130261151-A1 AZABENZIMIDAZOLES AS RESPIRATORY SYNCYTIAL VIRUS ANTIVIRAL AGENTS ZC3HAV1, AZI2, ZC3HAV1L TP53 1918/4885GAA 563/4885MAPT 4724/4885

“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.