SCHEMBL5111478

SCHEMBL5111478

c1ccc2[nH]c(-n3c(NC4CCNCC4)nc4ccccc43)nc2c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR4A2 P43354 1/20 0.51
KCNH2 Q12809 1/20 0.51
HTR3A P46098 1/20 0.48
AURKA O14965 2/20 0.46
JAK1 P23458 1/20 0.45
IRAK4 Q9NWZ3 1/20 0.42
TRPC3 Q13507 1/20 0.42
OPRM1 P35372 1/20 0.42
OPRD1 P41143 1/20 0.42
OPRK1 P41145 1/20 0.42
OGFRL1 Q5TC84 1/20 0.42
PIK3CB P42338 2/20 0.42
PIK3CD O00329 1/20 0.42
PIK3CA P42336 1/20 0.42
MTOR P42345 1/20 0.42
PIK3CG P48736 1/20 0.42
MKNK1 Q9BUB5 1/20 0.42
CHEK1 O14757 3/20 0.41
BCHE P06276 2/20 0.41
ACHE P22303 2/20 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
SCHEMBL5124163 0.81 KCNH2 (0.46) KCNH2AURKAJAK1TRPC3BCHE
SCHEMBL7203775 0.79 JAK1 (0.49) NR4A2KCNH2HTR3AAURKAJAK1
SCHEMBL6992893 0.77 KCNH2 (0.59) NR4A2KCNH2IRAK4OPRM1OPRD1
Hydrochloric Acid SCHEMBL5009615 0.76 KCNH2 (0.58) NR4A2KCNH2IRAK4OPRM1OPRD1
SCHEMBL382481 0.74 JAK1 (0.54) KCNH2JAK1CHEK1
SCHEMBL14584483 0.74 NR4A2 (0.56) NR4A2KCNH2IRAK4OPRM1OPRD1
Hydrochloric Acid SCHEMBL5007369 0.72 JAK1 (0.53) KCNH2JAK1CHEK1
Bromide SCHEMBL3874715 0.72 JAK1 (0.53) KCNH2JAK1CHEK1
Hydrochloric Acid SCHEMBL8130344 0.72 JAK1 (0.53) KCNH2JAK1CHEK1
SCHEMBL11265895 0.71 KCNH2 (0.83) NR4A2KCNH2HTR3AOPRM1OPRD1

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 1319/4885HTR3A 881/4885

“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.