SCHEMBL3694094

SCHEMBL3694094

O=C(NCc1ccccc1F)c1nc2c(C(F)(F)F)cc(-c3ccoc3)cn2c1Cl

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HIF1A Q16665 1/20 0.42
PKM P14618 1/20 0.38
RXFP1 Q9HBX9 1/20 0.38
TP53 P04637 1/20 0.38
HSD17B13 Q7Z5P4 2/20 0.37
POLB P06746 1/20 0.37
GAA P10253 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
CNR1 P21554 1/20 0.37
CNR2 P34972 1/20 0.37
MAPK1 P28482 1/20 0.37
HPGD P15428 3/20 0.37
LMNA P02545 1/20 0.37
EPHX2 P34913 1/20 0.37
MAOB P27338 1/20 0.36
KMT2A Q03164 2/20 0.36
CACNA1G O43497 1/20 0.36
CACNA1H O95180 1/20 0.36
ADORA3 P0DMS8 1/20 0.36
ADORA2A P29274 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
SCHEMBL7500321 0.92 HIF1A (0.53) HIF1ATP53POLBGAACNR1
SCHEMBL3702682 0.86 ADORA2A (0.47) PKMRXFP1HSD17B13POLBGAA
SCHEMBL3704942 0.86 ALDH1A1 (0.42) PKMRXFP1TP53POLBCNR2
SCHEMBL3694168 0.86 PKM (0.41) PKMRXFP1HSD17B13GAATDP1
SCHEMBL7494833 0.85 PKM (0.44) PKMRXFP1POLBHPGDLMNA
SCHEMBL7494471 0.84 ALDH1A1 (0.38) PKMRXFP1POLBGAAKMT2A
SCHEMBL7494377 0.83 PKM (0.37) PKMRXFP1HSD17B13MAPK1KMT2A
SCHEMBL7494581 0.82 SCD (0.38) PKMRXFP1HSD17B13POLBMAPK1
SCHEMBL7494524 0.82 HCRTR1 (0.41) PKMRXFP1TP53TDP1LMNA
SCHEMBL7500383 0.82 HCRTR1 (0.41) PKMRXFP1TP53TDP1LMNA

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
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
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 HIF1A 551/4885PKM 2286/4885RXFP1 4676/4885
US-20090176778-A1 Certain nitrogen containing bicyclic chemical entities for treating viral infections OAT, HAVCR2, CPS1 HIF1A 551/4885PKM 2286/4885RXFP1 4676/4885

“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.