SCHEMBL933682

SCHEMBL933682

c1cc2cc(-c3cnc([C@@H]4CCCN4)[nH]3)cnc2cc1-c1ccc(-c2cnc([C@@H]3CCCN3)[nH]2)cn1

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HPGDS O60760 4/20 0.37
SCN10A Q9Y5Y9 2/20 0.36
NR1H4 Q96RI1 2/20 0.35
MAPK13 O15264 1/20 0.33
MAPK12 P53778 1/20 0.33
MAPK11 Q15759 1/20 0.33
MAPK14 Q16539 1/20 0.33
PYGL P06737 2/20 0.33
IRAK4 Q9NWZ3 2/20 0.32
CHRNB2 P17787 1/20 0.32
CHRNA4 P43681 1/20 0.32
ESR2 Q92731 1/20 0.32
KCNH2 Q12809 1/20 0.31
KDM1A O60341 1/20 0.31

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
SCHEMBL10177451 0.91 HPGDS (0.38) HPGDSSCN10ANR1H4MAPK13MAPK12
SCHEMBL12673076 0.91 NR1H4 (0.40) HPGDSSCN10ANR1H4MAPK13MAPK12
SCHEMBL10253815 0.86 HPGDS (0.42) HPGDSSCN10AMAPK13MAPK12MAPK11
SCHEMBL9980576 0.85 MAPK13 (0.41) HPGDSSCN10ANR1H4MAPK13MAPK12
SCHEMBL1892663 0.85 SCN10A (0.37) HPGDSSCN10ANR1H4MAPK13MAPK12
SCHEMBL16511895 0.85 SCN10A (0.44) HPGDSSCN10A
SCHEMBL18901854 0.84 HPGDS (0.44) HPGDSSCN10AMAPK13MAPK12MAPK11
SCHEMBL10253661 0.84 HPGDS (0.44) HPGDSSCN10AMAPK13MAPK12MAPK11
SCHEMBL10144865 0.84 HPGDS (0.35) HPGDSSCN10ANR1H4MAPK13MAPK12
SCHEMBL15373033 0.84 HPGDS (0.35) HPGDSSCN10ANR1H4MAPK13MAPK12

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-20110112100-A1 Hepatitis C Virus Inhibitors PFIZER INC. 2011-05-12 US disclosed
US-20110112100-A1 Hepatitis C Virus Inhibitors PFIZER INC. 2011-05-12 US disclosed
WO-2011004276-A1 HEPATITIS C VIRUS INHIBITORS PFIZER LIMITED (GB) 2011-01-13 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 (1 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-20110112100-A1 Hepatitis C Virus Inhibitors HAVCR2, SLC10A1, HCCS HPGDS 1869/4885SCN10A 4499/4885NR1H4 31/4885

“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.