SCHEMBL3699404

SCHEMBL3699404

O=C(NCc1cccs1)c1nc2c(C(F)(F)F)cc(-c3ccc(F)cc3)cn2c1Cl

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.47
PKM P14618 1/20 0.45
LMNA P02545 4/20 0.45
HPGD P15428 4/20 0.42
TSHR P16473 2/20 0.42
KDM4E B2RXH2 3/20 0.41
ALDH1A1 P00352 3/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
RAB9A P51151 4/20 0.41
POLB P06746 1/20 0.41
NPC1 O15118 3/20 0.41
CPT1A P50416 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
CYP1A2 P05177 1/20 0.39
HSD17B10 Q99714 1/20 0.39
TP53 P04637 1/20 0.39

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
SCHEMBL7491373 0.94 PKM (0.46) MAPTPKMLMNAHPGDTSHR
SCHEMBL7487587 0.93 SMN1; SMN2 (0.48) MAPTPKMLMNAHPGDTSHR
SCHEMBL7491448 0.92 PKM (0.46) MAPTPKMLMNAHPGDTSHR
SCHEMBL3701953 0.91 PKM (0.46) MAPTPKMLMNAHPGDTSHR
SCHEMBL3709471 0.91 PKM (0.44) MAPTPKMLMNAHPGDTSHR
SCHEMBL3705618 0.89 PKM (0.47) MAPTPKMLMNAHPGDTSHR
SCHEMBL3699022 0.89 PKM (0.45) MAPTPKMLMNAHPGDTSHR
SCHEMBL7490627 0.89 PKM (0.45) MAPTPKMLMNAHPGDTSHR
SCHEMBL7494833 0.88 PKM (0.44) MAPTPKMLMNAHPGDTSHR
SCHEMBL3707376 0.88 PKM (0.44) MAPTPKMLMNAHPGDTSHR

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
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 MAPT 1692/4885PKM 2286/4885LMNA 1511/4885
US-20090176778-A1 Certain nitrogen containing bicyclic chemical entities for treating viral infections OAT, HAVCR2, CPS1 MAPT 1692/4885PKM 2286/4885LMNA 1511/4885

“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.