SCHEMBL4987971

SCHEMBL4987971

Cc1nc(C)c(Cc2ccnc(N)c2N)o1

nearest known ligand 0.42

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
NOS2 P35228 5/20 0.42
NOS3 P29474 4/20 0.42
TLR8 Q9NR97 2/20 0.34
NOS1 P29475 1/20 0.31

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
SCHEMBL9687757 0.76 NOS2 (0.47) NOS2NOS3NOS1
SCHEMBL4986132 0.75 NOS2 (0.42) NOS2NOS3TLR8NOS1
SCHEMBL9686545 0.73 MAPT (0.49) NOS2NOS3TLR8NOS1
SCHEMBL9687039 0.71 NOS2 (0.44) NOS2NOS3NOS1
SCHEMBL9536189 0.70 NOS2 (0.47) NOS2NOS3NOS1
SCHEMBL9687045 0.70 NOS2 (0.39) NOS2NOS3TLR8NOS1
SCHEMBL8123469 0.69 MPO (0.49) NOS2NOS3NOS1
SCHEMBL3264472 0.68 NOS2 (0.52) NOS2NOS3TLR8NOS1
SCHEMBL25256924 0.68 NOS2 (0.41) NOS2NOS3NOS1
SCHEMBL9686463 0.68 NOS3 (0.37) NOS2NOS3TLR8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7390811-B2 Respiratory syncytial virus replication inhibitors JANSSEN PHARMACEUTICA, N.V. (BE) 2008-06-24 US disclosed
US-7361657-B2 Respiratory syncytial virus replication inhibitors JANSSEN PHARMACEUTICA, N.V. (BE) 2008-04-22 US disclosed
US-7173054-B2 Respiratory syncytial virus replication inhibitors JANSSEN PHARMACEUTICA, N.V. (BE) 2007-02-06 US disclosed
US-7173034-B2 Respiratory syncytial virus replication inhibitors JANSSEN PHARMACEUTICA, N.V. (BE) 2007-02-06 US disclosed
US-20070021410-A1 Respiratory syncytial virus replication inhibitors JANSSEN PHARMACEUTICA, N.V. (BE) 2007-01-25 US disclosed
US-20060154913-A1 Respiratory syncytial virus replication inhibitors JANSSEN PHARMACEUTICA, N.V (BE) (BE) 2006-07-13 US disclosed
US-20050239771-A1 Respiratory syncytial virus replication inhibitors JANSSEN PHARMACEUTICA, N.V. 2005-10-27 US disclosed
US-20050234047-A1 Respiratory syncytial virus replication inhibitors JANSSEN PHARMACEUTICA, N.V. 2005-10-20 US disclosed
US-6924287-B1 Respiratory syncytial virus replication inhibitors JANSSEN PHARMACATICA, N.V. (BE) 2005-08-02 US disclosed
EP-1196408-B1 RESPIRATORY SYNCYTIAL VIRUS REPLICATION INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2004-09-15 EP disclosed
EP-1418175-A1 Respiratory syncytial virus replication inhibitors JANSSEN PHARMACEUTICA N.V. (BE) 2004-05-12 EP disclosed
EP-1196408-A1 RESPIRATORY SYNCYTIAL VIRUS REPLICATION INHIBITORS Janssen Pharmaceutica N.V. (BE) 2002-04-17 EP disclosed
WO-2001000611-A1 RESPIRATORY SYNCYTIAL VIRUS REPLICATION INHIBITORS JANSSEN PHARMACEUTICA N.V. (BE) 2001-01-04 WO disclosed
EP-0539421-B1 NOVEL OXAZOLYL DERIVATIVES JANSSEN PHARMACEUTICA NV (BE) 1998-09-23 EP disclosed
WO-1992001687-A1 NOVEL OXAZOLYL DERIVATIVES JANSSEN PHARMACEUTICA N.V. (BE) 1992-02-06 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-20060154913-A1 Respiratory syncytial virus replication inhibitors CCNA1, CCNB3, CCNI NOS2 3448/4885NOS3 2246/4885TLR8 1680/4885
US-20050234047-A1 Respiratory syncytial virus replication inhibitors CCNA1, CCNB3, CCNI NOS2 3441/4885NOS3 2235/4885TLR8 1711/4885
US-20070021410-A1 Respiratory syncytial virus replication inhibitors CCNA1, CCNB3, CCNI NOS2 3448/4885NOS3 2246/4885TLR8 1680/4885
US-20050239771-A1 Respiratory syncytial virus replication inhibitors CCNB3, CCNA1, CDK2 NOS2 3104/4885NOS3 1941/4885TLR8 1440/4885

“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.