SCHEMBL9977940

SCHEMBL9977940

OCc1nc2ncccc2n1CCCCF

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.45
RAB9A P51151 3/20 0.45
TP53 P04637 2/20 0.45
NPC1 O15118 1/20 0.45
KMT2A Q03164 4/20 0.41
LMNA P02545 3/20 0.41
MAPK1 P28482 2/20 0.41
MEN1 O00255 2/20 0.41
ALDH1A1 P00352 1/20 0.41
POLB P06746 1/20 0.40
CNR1 P21554 6/20 0.38
KDM4E B2RXH2 1/20 0.38
GRM2 Q14416 1/20 0.36
CNR2 P34972 3/20 0.35

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
SCHEMBL9977917 0.96 SMN1; SMN2 (0.46) SMN1; SMN2RAB9ATP53NPC1KMT2A
SCHEMBL9977939 0.83 SMN1; SMN2 (0.43) SMN1; SMN2RAB9ATP53NPC1KMT2A
SCHEMBL9978057 0.81 RAB9A (0.52) SMN1; SMN2RAB9ATP53NPC1KMT2A
SCHEMBL7746045 0.79 SMN1; SMN2 (0.64) SMN1; SMN2RAB9ATP53NPC1KMT2A
SCHEMBL16657416 0.79 SMN1; SMN2 (0.39) SMN1; SMN2RAB9ATP53NPC1KMT2A
SCHEMBL9977916 0.79 SMN1; SMN2 (0.41) SMN1; SMN2RAB9ATP53NPC1KMT2A
SCHEMBL9977957 0.77 MAPK1 (0.49) SMN1; SMN2RAB9ATP53NPC1KMT2A
SCHEMBL4762190 0.75 GRM2 (0.45) KMT2AGRM2
SCHEMBL15908544 0.70 SMN1; SMN2 (0.45) SMN1; SMN2RAB9ATP53NPC1KMT2A
SCHEMBL9979854 0.69 BACE1 (0.54) SMN1; SMN2RAB9ATP53NPC1KMT2A

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 SMN1; SMN2 161/4885RAB9A 1633/4885TP53 2157/4885
US-20150073012-A1 AZABENZIMIDAZOLES AS RESPIRATORY SYNCYTIAL VIRUS ANTIVIRAL AGENTS ZC3HAV1, AZI2, ZC3HAV1L SMN1; SMN2 182/4885RAB9A 1607/4885TP53 1918/4885
US-20130261151-A1 AZABENZIMIDAZOLES AS RESPIRATORY SYNCYTIAL VIRUS ANTIVIRAL AGENTS ZC3HAV1, AZI2, ZC3HAV1L SMN1; SMN2 182/4885RAB9A 1607/4885TP53 1918/4885

“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.