SCHEMBL3697433

SCHEMBL3697433

O=C(NCc1cccs1)c1nc2c(C(F)(F)F)cc(-c3ccc[nH]3)cn2c1Cl

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.43
RAB9A P51151 3/20 0.41
POLB P06746 1/20 0.41
HPGD P15428 3/20 0.40
TSHR P16473 1/20 0.40
SMN1; SMN2 Q16637 5/20 0.39
CPT1A P50416 1/20 0.39
MAPT P10636 1/20 0.39
THRB P10828 2/20 0.38
RXFP1 Q9HBX9 1/20 0.38
NPC1 O15118 2/20 0.38
LMNA P02545 1/20 0.38
CYP1A2 P05177 1/20 0.38
HSD17B10 Q99714 1/20 0.38
ALDH1A1 P00352 1/20 0.38
KDM4E B2RXH2 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
SCHEMBL3701312 0.88 PKM (0.43) PKMRAB9APOLBHPGDTSHR
SCHEMBL7487587 0.87 SMN1; SMN2 (0.48) PKMRAB9APOLBHPGDTSHR
SCHEMBL3705618 0.87 PKM (0.47) PKMRAB9APOLBHPGDTSHR
SCHEMBL3701298 0.87 PKM (0.43) PKMRAB9APOLBHPGDTSHR
SCHEMBL7491448 0.86 PKM (0.46) PKMRAB9APOLBHPGDTSHR
SCHEMBL7491373 0.86 PKM (0.46) PKMRAB9APOLBHPGDTSHR
SCHEMBL7492987 0.86 PKM (0.44) PKMRAB9APOLBHPGDTSHR
SCHEMBL3699404 0.85 MAPT (0.47) PKMRAB9APOLBHPGDTSHR
SCHEMBL7490627 0.85 PKM (0.45) PKMRAB9APOLBHPGDTSHR
SCHEMBL3699022 0.85 PKM (0.45) PKMRAB9APOLBHPGDTSHR

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

“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.