SCHEMBL13675181

SCHEMBL13675181

Cc1c2nc(NCCN3CCCC(F)(F)C3)sc2cc2sc(NCC(=O)N3CCCNCC3)nc12

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 4/20 0.33
TLR9 Q9NR96 1/20 0.32
TLR8 Q9NR97 1/20 0.32
TLR7 Q9NYK1 1/20 0.32
DHODH Q02127 1/20 0.32
IDO1 P14902 1/20 0.32
ACKR3 P25106 3/20 0.31
CCNT1 O60563 2/20 0.31
CDK9 P50750 2/20 0.31
TMEM97 Q5BJF2 1/20 0.31
SIGMAR1 Q99720 1/20 0.31
ABL1 P00519 1/20 0.30
CCNA2 P20248 1/20 0.30
CDK2 P24941 1/20 0.30
CCNA1 P78396 1/20 0.30

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
SCHEMBL9966071 0.91 PTGS2 (0.36) PTGS2TLR9TLR8TLR7DHODH
SCHEMBL9963639 0.82 PTGS2 (0.44) PTGS2TLR9TLR8TLR7
SCHEMBL14369905 0.80 PTGS2 (0.36) PTGS2TLR9TLR8TLR7ACKR3
SCHEMBL9963672 0.80 PTGS2 (0.38) PTGS2TLR9TLR8TLR7DHODH
SCHEMBL9963660 0.78 ACHE (0.41) PTGS2TLR9TLR8TLR7ACKR3
SCHEMBL9963644 0.78 PTGS2 (0.37) PTGS2TLR9TLR8TLR7
SCHEMBL9963654 0.78 PTGS2 (0.39) PTGS2TLR9TLR8TLR7
SCHEMBL9963617 0.78 PTGS2 (0.47) PTGS2IDO1ACKR3ABL1
SCHEMBL9963592 0.77 PTGS2 (0.41) PTGS2
SCHEMBL9963641 0.77 CHRM4 (0.35) PTGS2TLR9TLR8TLR7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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 PTGS2 2872/4885TLR9 3948/4885TLR8 4704/4885

“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.