SCHEMBL7496017

SCHEMBL7496017

O=C(N[C@@H]1CCN(C(=O)c2nc3c(C(F)(F)F)cc(-c4ccoc4)cn3c2Cl)C1)C1CC1

nearest known ligand 0.41

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
KDM5B Q9UGL1 7/20 0.41
KDM5A P29375 11/20 0.39
SCN9A Q15858 1/20 0.38
EPHX2 P34913 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
SCHEMBL3699901 1.00 KDM5B (0.41) KDM5BKDM5ASCN9AEPHX2
SCHEMBL3688062 0.92 EPHX2 (0.37) KDM5AEPHX2
SCHEMBL3790725 0.92 EPHX2 (0.38) KDM5BKDM5AEPHX2
SCHEMBL3790727 0.92 EPHX2 (0.38) KDM5BKDM5AEPHX2
SCHEMBL3683862 0.91 TYRO3 (0.38) KDM5ASCN9AEPHX2
SCHEMBL7500241 0.91 TYRO3 (0.38) KDM5ASCN9AEPHX2
SCHEMBL3787870 0.89 TEAD1 (0.41) EPHX2
SCHEMBL3787876 0.89 TEAD1 (0.41) EPHX2
SCHEMBL3784974 0.89 KMT2A (0.37) KDM5AEPHX2
SCHEMBL3784977 0.89 KMT2A (0.37) KDM5AEPHX2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120121540-A1 Certain Nitrogen Containing Bicyclic Chemical Entities For Treating Viral Infections GLAXOSMITHKLINE LLC 2012-05-17 US disclosed
US-20120121540-A1 Certain Nitrogen Containing Bicyclic Chemical Entities For Treating Viral Infections GLAXOSMITHKLINE LLC 2012-05-17 US disclosed
US-20090176778-A1 Certain nitrogen containing bicyclic chemical entities for treating viral infections GLAXOSMITHKLINE LLC 2009-07-09 US 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 (2 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-20120121540-A1 Certain Nitrogen Containing Bicyclic Chemical Entities For Treating Viral Infections OAT, HAVCR2, CPS1 KDM5B 3291/4885KDM5A 3315/4885SCN9A 2892/4885
US-20090176778-A1 Certain nitrogen containing bicyclic chemical entities for treating viral infections OAT, HAVCR2, CPS1 KDM5B 3291/4885KDM5A 3315/4885SCN9A 2892/4885

“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.