SCHEMBL7499735

SCHEMBL7499735

O=C(NCc1cccs1)c1nc2c(C(F)(F)F)cc(-c3cccc(F)c3)cn2c1CN1CCCC1

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CPT1A P50416 1/20 0.39
DYRK1A Q13627 2/20 0.39
POLB P06746 2/20 0.39
MAPT P10636 2/20 0.38
SMN1; SMN2 Q16637 3/20 0.37
PKM P14618 1/20 0.37
WNT1 P04628 1/20 0.36
TP53 P04637 2/20 0.36
ALDH1A1 P00352 1/20 0.36
HPGD P15428 1/20 0.36
THRB P10828 2/20 0.36
RXFP1 Q9HBX9 1/20 0.36
LMNA P02545 2/20 0.35
MEN1 O00255 1/20 0.35
TSHR P16473 1/20 0.35
KMT2A Q03164 1/20 0.35
ATM Q13315 1/20 0.35
TAAR1 Q96RJ0 1/20 0.35

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
SCHEMBL7499801 0.94 SLC2A1 (0.42) CPT1APOLBMAPTSMN1; SMN2PKM
SCHEMBL7491347 0.86 CPT1A (0.38) CPT1AMAPTSMN1; SMN2PKMTP53
SCHEMBL7493702 0.85 CPT1A (0.41) CPT1APOLBMAPTSMN1; SMN2PKM
SCHEMBL3699786 0.85 CPT1A (0.41) CPT1APOLBMAPTSMN1; SMN2PKM
SCHEMBL3709471 0.85 PKM (0.44) CPT1APOLBMAPTSMN1; SMN2PKM
SCHEMBL3688452 0.83 SLC2A1 (0.40) DYRK1ASMN1; SMN2ALDH1A1LMNA
SCHEMBL7492929 0.82 CPT1A (0.39) CPT1APOLBMAPTSMN1; SMN2PKM
SCHEMBL3699921 0.81 CPT1A (0.38) CPT1AMAPTSMN1; SMN2PKMALDH1A1
SCHEMBL7490019 0.81 CPT1A (0.38) CPT1AMAPTSMN1; SMN2PKMALDH1A1
SCHEMBL7492831 0.81 SMN1; SMN2 (0.38) CPT1APOLBMAPTSMN1; SMN2PKM

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 3 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

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 CPT1A 192/4885DYRK1A 4881/4885POLB 1134/4885
US-20090176778-A1 Certain nitrogen containing bicyclic chemical entities for treating viral infections OAT, HAVCR2, CPS1 CPT1A 192/4885DYRK1A 4881/4885POLB 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.