SCHEMBL2024741

SCHEMBL2024741

Clc1ncnc2c1cnc1ccnn12

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 4/20 0.35
PDE10A Q9Y233 1/20 0.35
PDE4A P27815 1/20 0.34
PDE4B Q07343 1/20 0.34
PDE4C Q08493 1/20 0.34
PDE4D Q08499 1/20 0.34
MKNK1 Q9BUB5 1/20 0.32
SLC22A12 Q96S37 1/20 0.31
CHEK1 O14757 1/20 0.31
AURKA O14965 1/20 0.31
DAPK3 O43293 1/20 0.31
JAK2 O60674 1/20 0.31
MAP4K4 O95819 1/20 0.31
ABL1 P00519 1/20 0.31
NTRK1 P04629 1/20 0.31
LCK P06239 1/20 0.31
CSF1R P07333 1/20 0.31
RET P07949 1/20 0.31
MET P08581 1/20 0.31
PDGFRB P09619 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
SCHEMBL11978466 0.76 TP53 (0.46)
SCHEMBL11957609 0.73 TP53 (0.53) DGAT1MAP4K4KDR
SCHEMBL2020753 0.71 NPC1 (0.43) AURKA
SCHEMBL11603925 0.70 PDE10A (0.42) PDE10APDE4APDE4BPDE4CPDE4D
SCHEMBL14649428 0.69 PDE10A (0.42) DGAT1PDE10AMKNK1
SCHEMBL4087719 0.67 PI4KA (0.37) PDE4APDE4BPDE4CPDE4D
SCHEMBL13510 0.66 PI4KA (0.61)
SCHEMBL6071871 0.66 GSK3B (0.53) GSK3AGSK3B
SCHEMBL5411017 0.65 DGAT1 (0.41) DGAT1PDE10AMKNK1CSNK1A1DYRK1A
SCHEMBL33377880 0.65 DGAT1 (0.53) DGAT1PDE10AMKNK1KDRCDK9

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-8236950-B2 Anti-viral compounds ABBOTT LABORATORIES (US) 2012-08-07 US disclosed
US-20110160233-A1 ANTI-VIRAL COMPOUNDS ABBOTT LABORATORIES (US) 2011-06-30 US disclosed
EP-2094276-A2 ANTI-VIRAL COMPOUNDS Abbott Laboratories (US) 2009-09-02 EP disclosed
WO-2008133753-A2 ANTI-VIRAL COMPOUNDS ABBOTT LABORATORIES (US) 2008-11-06 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-20110160233-A1 ANTI-VIRAL COMPOUNDS HAVCR2, MAVS, EIF2AK2 DGAT1 632/4885PDE10A 4218/4885PDE4A 4074/4885

“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.