SCHEMBL3708701

SCHEMBL3708701

O=C(NCc1cccs1)c1nc2c(C(F)(F)F)cc(C#Cc3ccccc3)cn2c1Cl

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.45
HPGD P15428 5/20 0.41
TSHR P16473 1/20 0.41
SMN1; SMN2 Q16637 4/20 0.41
LMNA P02545 3/20 0.41
RAB9A P51151 2/20 0.41
CPT1A P50416 1/20 0.41
NPC1 O15118 1/20 0.41
POLB P06746 2/20 0.41
RECQL P46063 2/20 0.41
THRB P10828 1/20 0.41
RXFP1 Q9HBX9 1/20 0.41
HTT P42858 2/20 0.39
HSD17B10 Q99714 2/20 0.39
CYP1A2 P05177 1/20 0.39
ALDH1A1 P00352 2/20 0.39
MAPT P10636 2/20 0.39
MAPK1 P28482 2/20 0.38
KDM4E B2RXH2 1/20 0.38
MEN1 O00255 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
SCHEMBL7492971 0.91 PKM (0.44) PKMHPGDTSHRSMN1; SMN2LMNA
SCHEMBL7492805 0.90 PKM (0.48) PKMHPGDTSHRSMN1; SMN2LMNA
SCHEMBL7497656 0.90 PKM (0.46) PKMHPGDTSHRSMN1; SMN2LMNA
SCHEMBL7492468 0.89 PKM (0.43) PKMHPGDTSHRSMN1; SMN2LMNA
SCHEMBL7487587 0.87 SMN1; SMN2 (0.48) PKMHPGDTSHRSMN1; SMN2LMNA
SCHEMBL3690459 0.86 PKM (0.47) PKMHPGDTSHRSMN1; SMN2LMNA
SCHEMBL7498184 0.85 PKM (0.45) PKMHPGDTSHRSMN1; SMN2LMNA
SCHEMBL7489819 0.85 PKM (0.48) PKMHPGDTSHRSMN1; SMN2LMNA
SCHEMBL3705618 0.83 PKM (0.47) PKMHPGDTSHRSMN1; SMN2LMNA
SCHEMBL7491448 0.82 PKM (0.46) PKMHPGDTSHRSMN1; SMN2LMNA

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 2286/4885HPGD 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.