SCHEMBL9977957

SCHEMBL9977957

CC(C)CCn1c(CO)nc2ncccc21

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.49
TSHR P16473 1/20 0.49
LMNA P02545 3/20 0.43
KMT2A Q03164 3/20 0.43
MAPT P10636 2/20 0.43
ALDH1A1 P00352 1/20 0.43
POLB P06746 2/20 0.40
SMN1; SMN2 Q16637 4/20 0.39
RAB9A P51151 3/20 0.39
TP53 P04637 2/20 0.39
NPC1 O15118 1/20 0.39
MEN1 O00255 1/20 0.39
KDM4E B2RXH2 1/20 0.38
CNR2 P34972 1/20 0.37

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
SCHEMBL9977939 0.81 SMN1; SMN2 (0.43) MAPK1LMNAKMT2AALDH1A1POLB
SCHEMBL15293766 0.80 MAPK1 (0.43) MAPK1TSHRLMNAKMT2AMAPT
SCHEMBL7740380 0.79 MAPK1 (0.76) MAPK1TSHRLMNAKMT2AMAPT
SCHEMBL9977959 0.79 TSHR (0.48) MAPK1TSHRLMNAMAPTPOLB
SCHEMBL9977913 0.79 MAPK1 (0.42) MAPK1TSHRLMNAKMT2APOLB
SCHEMBL4762190 0.79 GRM2 (0.45) KMT2A
SCHEMBL9977917 0.78 SMN1; SMN2 (0.46) MAPK1LMNAKMT2AALDH1A1POLB
SCHEMBL9978057 0.78 RAB9A (0.52) MAPK1TSHRLMNAKMT2AALDH1A1
SCHEMBL9977940 0.77 SMN1; SMN2 (0.45) MAPK1LMNAKMT2AALDH1A1POLB
SCHEMBL27939158 0.77 MAPT (0.43) MAPK1TSHRLMNAKMT2AMAPT

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 14 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
CN-103347881-A Azabenzimidazoles as respiratory syncytial virus antiviral agents JANSSEN R & D IRELAND 2013-10-09 CN 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 MAPK1 2430/4885TSHR 4377/4885LMNA 3136/4885
US-20150073012-A1 AZABENZIMIDAZOLES AS RESPIRATORY SYNCYTIAL VIRUS ANTIVIRAL AGENTS ZC3HAV1, AZI2, ZC3HAV1L MAPK1 2680/4885TSHR 4359/4885LMNA 2827/4885
US-20130261151-A1 AZABENZIMIDAZOLES AS RESPIRATORY SYNCYTIAL VIRUS ANTIVIRAL AGENTS ZC3HAV1, AZI2, ZC3HAV1L MAPK1 2680/4885TSHR 4359/4885LMNA 2827/4885

“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.