SCHEMBL9963641

SCHEMBL9963641

Cc1c2nc(NCC(=O)N3CCC(N(C)C)CC3)sc2cc2sc(NCC(=O)N3CCCC(F)(F)C3)nc12

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CHRM4 P08173 1/20 0.35
PTGS2 P35354 4/20 0.35
GSK3B P49841 1/20 0.34
DYRK1A Q13627 1/20 0.34
TLR9 Q9NR96 3/20 0.34
TLR8 Q9NR97 3/20 0.34
TLR7 Q9NYK1 3/20 0.34
NPY5R Q15761 3/20 0.32
MKNK1 Q9BUB5 2/20 0.32
TBK1 Q9UHD2 1/20 0.32
FABP4 P15090 1/20 0.32
LMNA P02545 1/20 0.31
NAPEPLD Q6IQ20 1/20 0.31
TP53 P04637 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
SCHEMBL9963664 0.89 GSK3B (0.34) CHRM4PTGS2GSK3BDYRK1ATLR9
SCHEMBL9963577 0.88 PTGS2 (0.44) CHRM4PTGS2GSK3BDYRK1AFABP4
SCHEMBL9963658 0.88 TP53 (0.42) CHRM4PTGS2TLR9TLR8TLR7
SCHEMBL9963639 0.87 PTGS2 (0.44) CHRM4PTGS2DYRK1ATLR9TLR8
SCHEMBL9963660 0.87 ACHE (0.41) CHRM4PTGS2TLR9TLR8TLR7
SCHEMBL9963672 0.87 PTGS2 (0.38) CHRM4PTGS2TLR9TLR8TLR7
SCHEMBL9963607 0.86 ACHE (0.38) CHRM4PTGS2TLR9TLR8TLR7
SCHEMBL9963654 0.85 PTGS2 (0.39) CHRM4PTGS2TLR9TLR8TLR7
SCHEMBL9966071 0.84 PTGS2 (0.36) CHRM4PTGS2TLR9TLR8TLR7
SCHEMBL14369905 0.84 PTGS2 (0.36) CHRM4PTGS2TLR9TLR8TLR7

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2032583-B1 NEW CHEMICAL COMPOUNDS BOEHRINGER INGELHEIM INT (DE) 2014-11-19 EP disclosed
US-8203001-B2 Chemical compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-06-19 US disclosed
US-8203001-B2 Chemical compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-06-19 US disclosed
US-20090258857-A1 CHEMICAL COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-10-15 US disclosed
US-20090258857-A1 CHEMICAL COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-10-15 US disclosed
WO-2007144370-A1 NEW CHEMICAL COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-12-21 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-20090258857-A1 CHEMICAL COMPOUNDS CCNA1, CCNT1, MKI67 CHRM4 820/4885PTGS2 2872/4885GSK3B 900/4885

“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.