SCHEMBL7492805

SCHEMBL7492805

C#Cc1cc(C(F)(F)F)c2nc(C(=O)NCc3cccs3)c(Cl)n2c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.48
HPGD P15428 3/20 0.43
TSHR P16473 2/20 0.43
CYP1A2 P05177 1/20 0.42
HSD17B10 Q99714 1/20 0.42
SMN1; SMN2 Q16637 5/20 0.41
CPT1A P50416 1/20 0.41
ALDH1A1 P00352 3/20 0.40
POLB P06746 4/20 0.39
RAB9A P51151 3/20 0.39
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
NPC1 O15118 2/20 0.39
MAPT P10636 2/20 0.39
KDM4E B2RXH2 1/20 0.39
LMNA P02545 2/20 0.39
THRB P10828 1/20 0.39
RXFP1 Q9HBX9 1/20 0.39
RECQL P46063 1/20 0.38
ESR1 P03372 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
SCHEMBL7497656 0.91 PKM (0.46) PKMHPGDTSHRCYP1A2HSD17B10
SCHEMBL7492971 0.91 PKM (0.44) PKMHPGDTSHRCYP1A2HSD17B10
SCHEMBL3708701 0.90 PKM (0.45) PKMHPGDTSHRCYP1A2HSD17B10
SCHEMBL7492468 0.87 PKM (0.43) PKMHPGDTSHRCYP1A2HSD17B10
SCHEMBL7489819 0.86 PKM (0.48) PKMHPGDTSHRCYP1A2HSD17B10
SCHEMBL3690459 0.85 PKM (0.47) PKMHPGDTSHRCYP1A2HSD17B10
SCHEMBL7487587 0.85 SMN1; SMN2 (0.48) PKMHPGDTSHRCYP1A2HSD17B10
SCHEMBL3705618 0.85 PKM (0.47) PKMHPGDTSHRCYP1A2HSD17B10
SCHEMBL7491373 0.84 PKM (0.46) PKMHPGDTSHRCYP1A2HSD17B10
SCHEMBL7491448 0.84 PKM (0.46) PKMHPGDTSHRCYP1A2HSD17B10

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
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 PKM 2286/4885HPGD 446/4885TSHR 4542/4885
US-20090176778-A1 Certain nitrogen containing bicyclic chemical entities for treating viral infections OAT, HAVCR2, CPS1 PKM 2286/4885HPGD 446/4885TSHR 4542/4885

“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.