SCHEMBL6764685

SCHEMBL6764685

Cc1cccc(C(=NO)C(=O)c2ccc3scnc3c2)n1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 1/20 0.40
CLK1 P49759 1/20 0.39
CLK2 P49760 1/20 0.39
CLK3 P49761 1/20 0.39
PDE10A Q9Y233 1/20 0.39
ESR1 P03372 2/20 0.37
NPC1 O15118 4/20 0.36
RAB9A P51151 3/20 0.36
KDM4E B2RXH2 2/20 0.36
TDP1 Q9NUW8 2/20 0.36
HKDC1 Q2TB90 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
AURKA O14965 1/20 0.35
HSD11B1 P28845 1/20 0.35
P2RX7 Q99572 1/20 0.35
CRBN Q96SW2 3/20 0.34
WNT1 P04628 1/20 0.34
GSK3B P49841 1/20 0.34
DYRK1A Q13627 1/20 0.34
ALDH1A1 P00352 2/20 0.34

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
SCHEMBL6764683 1.00 NAMPT (0.40) NAMPTCLK1CLK2CLK3PDE10A
SCHEMBL4866163 0.81 NPC1 (0.54) NPC1RAB9AKDM4ETDP1L3MBTL1
SCHEMBL4866180 0.81 NPC1 (0.54) NPC1RAB9AKDM4ETDP1L3MBTL1
SCHEMBL7248460 0.80 MAPT (0.44) NPC1RAB9AKDM4EP2RX7ALDH1A1
SCHEMBL6761491 0.78 ADORA3 (0.38) NPC1KDM4ETDP1P2RX7ALDH1A1
SCHEMBL7247528 0.77 ALDH1A1 (0.39) NPC1RAB9AP2RX7ALDH1A1SMN1; SMN2
SCHEMBL6759925 0.77 ALOX15 (0.49) NPC1RAB9AALDH1A1SMN1; SMN2LMNA
SCHEMBL6759928 0.77 ALOX15 (0.49) NPC1RAB9AALDH1A1SMN1; SMN2LMNA
SCHEMBL7250307 0.75 TAS1R3 (0.41) NAMPTPDE10ANPC1RAB9AP2RX7
SCHEMBL7250305 0.75 TAS1R3 (0.41) NAMPTPDE10ANPC1RAB9AP2RX7

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-20040220230-A1 Pyridinylimidazoles SMITHKLINE BEECHAM P.L.C. 2004-11-04 US disclosed
US-20030166633-A1 Pyridinylimidazoles SMITHKLINE BEECHAM P.L.C. (GB) 2003-09-04 US disclosed
EP-1257543-A1 PYRIDINYLIMIDAZOLES SMITHKLINE BEECHAM PLC (GB) 2002-11-20 EP disclosed
WO-2001062756-A1 PYRIDINYLIMIDAZOLES SMITHKLINE BEECHAM P.L.C. (GB) 2001-08-30 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-20030166633-A1 Pyridinylimidazoles NR0B1, NR1I2, NR0B2 NAMPT 384/4885CLK1 4039/4885CLK2 2960/4885
US-20040220230-A1 Pyridinylimidazoles NR0B1, NR1I2, NR0B2 NAMPT 381/4885CLK1 3894/4885CLK2 2917/4885

“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.