SCHEMBL3686231

SCHEMBL3686231

CC(=O)Nc1nc(-c2cc(C(F)(F)F)c3nc(C(=O)N4CCC(c5cccc(F)c5)C4)c(Cl)n3c2)cs1

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SCD5 Q86SK9 5/20 0.42
ABL1 P00519 5/20 0.39
KCNQ1 P51787 2/20 0.38
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
POLB P06746 1/20 0.36
MPL P40238 2/20 0.36
CCR2 P41597 2/20 0.36
CNR1 P21554 1/20 0.36
TRPA1 O75762 1/20 0.36
TRPV4 Q9HBA0 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
SCHEMBL7496036 0.92 SCD5 (0.40) SCD5ABL1KCNQ1MEN1KMT2A
SCHEMBL3687719 0.89 SCD5 (0.45) SCD5MEN1KMT2AMPLCNR1
SCHEMBL3684236 0.85 SCD5 (0.43) SCD5CNR1
SCHEMBL3692456 0.83 SCD5 (0.54) SCD5CNR1
SCHEMBL3686632 0.82 SCD5 (0.49) SCD5CNR1
SCHEMBL3689990 0.82 KDM5A (0.45) SCD5CNR1
SCHEMBL3689646 0.81 SCD5 (0.46) SCD5CNR1
SCHEMBL3685882 0.81 SCD5 (0.44) SCD5CNR1
SCHEMBL3695977 0.80 SCD5 (0.44) SCD5CNR1
SCHEMBL3688733 0.80 SCD5 (0.47) SCD5CNR1

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 6 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
CN-101842098-A Nitrogen-containing bicyclic chemical entities for the treatment of viral infections GENELABS TECH INC 2010-09-22 CN disclosed
EP-2187883-A2 NITROGEN CONTAINING BICYCLIC CHEMICAL ENTITIES FOR TREATING VIRAL INFECTIONS GENELABS TECHNOLOGIES, INC. (US) 2010-05-26 EP disclosed
US-20090176778-A1 Certain nitrogen containing bicyclic chemical entities for treating viral infections GLAXOSMITHKLINE LLC 2009-07-09 US disclosed
US-20090176778-A1 Certain nitrogen containing bicyclic chemical entities for treating viral infections GLAXOSMITHKLINE LLC 2009-07-09 US disclosed
WO-2009023179-A2 NITROGEN CONTAINING BICYCLIC CHEMICAL ENTITIES FOR TREATING VIRAL INFECTIONS GENELABS TECHNOLOGIES, INC. (US) 2009-02-19 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 (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 SCD5 2314/4885ABL1 289/4885KCNQ1 2831/4885
US-20090176778-A1 Certain nitrogen containing bicyclic chemical entities for treating viral infections OAT, HAVCR2, CPS1 SCD5 2314/4885ABL1 289/4885KCNQ1 2831/4885

“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.