SCHEMBL460338

SCHEMBL460338

Nc1cc(F)ccc1NC1CC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.46
KDM4E B2RXH2 2/20 0.46
MAPT P10636 1/20 0.46
HDAC1 Q13547 6/20 0.45
CHEK1 O14757 1/20 0.44
NTRK1 P04629 1/20 0.44
MET P08581 1/20 0.44
PIM1 P11309 1/20 0.44
LTK P29376 1/20 0.44
GRK5 P34947 1/20 0.44
MAP2K2 P36507 1/20 0.44
CDK8 P49336 1/20 0.44
NEK2 P51955 1/20 0.44
LIMK1 P53667 1/20 0.44
TYRO3 Q06418 1/20 0.44
MAP4K2 Q12851 1/20 0.44
DYRK1A Q13627 1/20 0.44
AURKB Q96GD4 1/20 0.44
ALOX15 P16050 2/20 0.41
ALDH1A1 P00352 2/20 0.39

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
SCHEMBL13500619 0.92 HSP90AA1 (0.43) GAAKDM4EMAPTHDAC1CHEK1
SCHEMBL20985359 0.86 HDAC1 (0.47) GAAHDAC1CHEK1NTRK1MET
SCHEMBL20985361 0.86 HDAC1 (0.47) GAAHDAC1CHEK1NTRK1MET
SCHEMBL28691310 0.85 CHEK1 (0.41) GAAKDM4EMAPTHDAC1CHEK1
SCHEMBL10175327 0.85 KDM4E (0.46) GAAKDM4EMAPTHDAC1CHEK1
SCHEMBL29526795 0.85 KDM4E (0.46) GAAKDM4EMAPTHDAC1CHEK1
SCHEMBL22725021 0.84 HDAC1 (0.41) GAAKDM4EMAPTHDAC1CHEK1
SCHEMBL2935444 0.81 ACKR3 (0.46) GAAKDM4EMAPTCHEK1NTRK1
SCHEMBL1924881 0.79 ALOX15 (0.55) MAPTCHEK1NTRK1METPIM1
SCHEMBL21025646 0.79 ALOX15 (0.44) GAAKDM4EMAPTHDAC1CHEK1

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 34 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-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-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-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
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-20130261151-A1 AZABENZIMIDAZOLES AS RESPIRATORY SYNCYTIAL VIRUS ANTIVIRAL AGENTS JANSSEN R & D IRELAND (IE) 2013-10-03 US disclosed
US-8507483-B2 1H-pyrimidin-2-one derivatives, preparation thereof and pharmaceutical use thereof as inhibitors of AKT (PKB) phosphorylation SANOFI (FR) 2013-08-13 US disclosed
US-8507483-B2 1H-pyrimidin-2-one derivatives, preparation thereof and pharmaceutical use thereof as inhibitors of AKT (PKB) phosphorylation SANOFI (FR) 2013-08-13 US disclosed
EP-2595482-A1 ALDOSTERONE SYNTHASE INHIBITORS Merck Sharp & Dohme Corp. (US) 2013-05-29 EP disclosed
WO-2012080447-A1 INDOLES AS RESPIRATORY SYNCYTIAL VIRUS ANTIVIRAL AGENTS JANSSEN R&D IRELAND (IE) 2012-06-21 WO disclosed
WO-2012080449-A1 AZABENZIMIDAZOLES AS RESPIRATORY SYNCYTIAL VIRUS ANTIVIRAL AGENTS JANSSEN R&D IRELAND (IE) 2012-06-21 WO disclosed
WO-2012012478-A1 ALDOSTERONE SYNTHASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2012-01-26 WO disclosed
WO-2011001115-A1 NOVEL 6-MORPHOLIN-4-YL-PYRIMIDIN-4-(3H)-ONE DERIVATIVES, AND THE PHARMACEUTICAL PREPARATION THEREOF AS AKT(PKB) PHOSPHORYLATION INHIBITORS SANOFI-AVENTIS (FR) 2011-01-06 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 (4 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 GAA 3259/4885KDM4E 1446/4885MAPT 3712/4885
US-20160237096-A1 AZABENZIMIDAZOLES AS RESPIRATORY SYNCYTIAL VIRUS ANTIVIRAL AGENTS AZI2, ZC3HAV1, ZC3HAV1L GAA 662/4885KDM4E 1223/4885MAPT 4740/4885
US-20130267555-A1 INDOLES AS RESPIRATORY SYNCYTIAL VIRUS ANTIVIRAL AGENTS IDO1, IDO2, INMT GAA 3259/4885KDM4E 1446/4885MAPT 3712/4885
US-20130261151-A1 AZABENZIMIDAZOLES AS RESPIRATORY SYNCYTIAL VIRUS ANTIVIRAL AGENTS ZC3HAV1, AZI2, ZC3HAV1L GAA 563/4885KDM4E 1258/4885MAPT 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.