SCHEMBL7488168

SCHEMBL7488168

Cc1cscc1-c1cc(C(F)(F)F)c2nc(C(=O)NCc3cccs3)c(Cl)n2c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.42
POLB P06746 5/20 0.40
RAB9A P51151 2/20 0.39
NPC1 O15118 1/20 0.39
HPGD P15428 4/20 0.39
TSHR P16473 1/20 0.39
RECQL P46063 1/20 0.39
CYP1A2 P05177 2/20 0.39
HTT P42858 2/20 0.39
USP2 O75604 1/20 0.39
HSD17B10 Q99714 1/20 0.39
ALDH1A1 P00352 2/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
MAPT P10636 1/20 0.38
MEN1 O00255 1/20 0.38
MAPK1 P28482 1/20 0.38
KMT2A Q03164 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38

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
SCHEMBL7490627 0.87 PKM (0.45) PKMPOLBRAB9ANPC1HPGD
SCHEMBL7491448 0.87 PKM (0.46) PKMPOLBRAB9ANPC1HPGD
SCHEMBL3707376 0.86 PKM (0.44) PKMPOLBRAB9ANPC1HPGD
SCHEMBL7487587 0.86 SMN1; SMN2 (0.48) PKMPOLBRAB9ANPC1HPGD
SCHEMBL3705618 0.86 PKM (0.47) PKMPOLBRAB9ANPC1HPGD
SCHEMBL7491373 0.85 PKM (0.46) PKMPOLBRAB9ANPC1HPGD
SCHEMBL3699404 0.84 MAPT (0.47) PKMPOLBRAB9ANPC1HPGD
SCHEMBL7496046 0.84 TAS2R8 (0.46) PKMPOLBRAB9ANPC1HPGD
SCHEMBL7492598 0.84 PKM (0.42) PKMPOLBRAB9ANPC1HPGD
SCHEMBL3699022 0.83 PKM (0.45) PKMPOLBRAB9ANPC1HPGD

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 4 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
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 PKM 2286/4885POLB 1134/4885RAB9A 3638/4885
US-20090176778-A1 Certain nitrogen containing bicyclic chemical entities for treating viral infections OAT, HAVCR2, CPS1 PKM 2286/4885POLB 1134/4885RAB9A 3638/4885

“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.