SCHEMBL5111365

SCHEMBL5111365

c1cnc2c(Cn3c(NC4CCNCC4)nc4cccnc43)cccc2c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR4A2 P43354 1/20 0.46
KCNH2 Q12809 1/20 0.46
TP53 P04637 1/20 0.41
HTR5A P47898 3/20 0.39
DAO P14920 1/20 0.37
SOS1 Q07889 1/20 0.37
HTR2C P28335 2/20 0.37
HTR2A P28223 1/20 0.37
SLC6A4 P31645 1/20 0.37
HTR6 P50406 2/20 0.37
IRAK4 Q9NWZ3 2/20 0.36
ADRB2 P07550 1/20 0.36
HTR1A P08908 1/20 0.36
DRD2 P14416 1/20 0.36
HTR1D P28221 1/20 0.36
HTR1B P28222 1/20 0.36
HTR1F P30939 1/20 0.36
HTR7 P34969 1/20 0.36
ADRA1B P35368 1/20 0.36
DRD3 P35462 1/20 0.36

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
SCHEMBL5114336 0.83 HTR5A (0.41) NR4A2KCNH2TP53HTR5AHTR2C
SCHEMBL11474096 0.83 NR4A2 (0.60) NR4A2KCNH2TP53SOS1HTR6
Bromide SCHEMBL9698669 0.81 KCNH2 (0.50) NR4A2KCNH2TP53SOS1IRAK4
SCHEMBL9876975 0.81 NR4A2 (0.44) NR4A2KCNH2TP53SOS1MKNK1
SCHEMBL9536526 0.79 NR4A2 (0.47) NR4A2KCNH2TP53SOS1IRAK4
Hydrochloric Acid SCHEMBL9741375 0.79 KCNH2 (0.70) NR4A2KCNH2TP53HTR5ASOS1
SCHEMBL9698202 0.79 NR4A2 (0.46) NR4A2KCNH2TP53SOS1MKNK1
SCHEMBL10428775 0.79 NR4A2 (0.46) NR4A2KCNH2TP53LMNACYP1A2
Hydrochloric Acid SCHEMBL11271768 0.78 KCNH2 (0.69) NR4A2KCNH2TP53HTR5ASOS1
SCHEMBL9876866 0.78 NR4A2 (0.45) NR4A2KCNH2TP53SOS1IRAK4

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7407969-B2 Respiratory syncytial virus replication inhibitors JANSSEN PHARMACEUTICA, N.V. (BE) 2008-08-05 US disclosed
EP-1400519-B1 Respiratory syncytial virus replication inhibitors JANSSEN PHARMACEUTICA NV (BE) 2007-03-07 EP disclosed
US-7071192-B1 Respiratory syncytial virus replication inhibitors JANSSEN PHARMACEUTICA, N.V. (BE) 2006-07-04 US disclosed
US-20060058309-A1 Respiratory syncytial virus replication inhibitors JANSSEN PHARMACEUTICA, N.V. (BE) 2006-03-16 US disclosed
EP-1400519-A1 Respiratory syncytial virus replication inhibitors JANSSEN PHARMACEUTICA N.V. (BE) 2004-03-24 EP disclosed
EP-1196410-B1 RESPIRATORY SYNCYTIAL VIRUS REPLICATION INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2004-02-18 EP disclosed
EP-1196410-A1 RESPIRATORY SYNCYTIAL VIRUS REPLICATION INHIBITORS JANSSEN PHARMACEUTICA N.V. (BE) 2002-04-17 EP disclosed
WO-2001000615-A1 RESPIRATORY SYNCYTIAL VIRUS REPLICATION INHIBITORS JANSSEN PHARMACEUTICA N.V. (BE) 2001-01-04 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 (1 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-20060058309-A1 Respiratory syncytial virus replication inhibitors NR4A1, NR4A3, NR4A2 NR4A2 3/4885KCNH2 1319/4885TP53 3915/4885

“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.