SCHEMBL13527240

SCHEMBL13527240

CCCCCCc1ccc(-n2cc(-c3cccnc3)nn2)cc1

nearest known ligand 0.61

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CA12 O43570 2/20 0.61
CA1 P00915 2/20 0.61
CA2 P00918 2/20 0.61
CA9 Q16790 2/20 0.61
MIF P14174 1/20 0.60
S1PR1 P21453 6/20 0.56
TLR8 Q9NR97 1/20 0.50
BCHE P06276 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
TRPV1 Q8NER1 3/20 0.46
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
ATM Q13315 1/20 0.45

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
SCHEMBL15923722 1.00 CA12 (0.61) CA12CA1CA2CA9MIF
SCHEMBL15060890 0.99 CA12 (0.62) CA12CA1CA2CA9MIF
SCHEMBL15935943 0.88 CA12 (0.58) CA12CA1CA2CA9MIF
SCHEMBL13527035 0.86 MIF (0.58) CA12CA1CA2CA9MIF
SCHEMBL21157717 0.86 MIF (0.58) CA12CA1CA2CA9MIF
SCHEMBL16213084 0.86 MIF (0.67) CA12CA1CA2CA9MIF
SCHEMBL16220782 0.86 MIF (0.63) CA12CA1CA2CA9MIF
SCHEMBL16212825 0.81 MIF (0.57) CA12CA1CA2CA9MIF
SCHEMBL13527251 0.79 FLT3 (0.62) CA12CA1CA2CA9MIF
SCHEMBL16212691 0.78 NAMPT (0.63) MIFS1PR1

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-20160152654-A1 TRIAZOLE COMPOUNDS AND METHODS OF MAKING AND USING THE SAME BioVersys AG (CH) 2016-06-02 US disclosed
US-20100016955-A1 Triazole compounds and methods of making and using the same BioVersys AG (CH) 2010-01-21 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 (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-20100016955-A1 Triazole compounds and methods of making and using the same IL33, PROKR1, VIP CA12 3772/4885CA1 3327/4885CA2 3823/4885
US-20160152654-A1 TRIAZOLE COMPOUNDS AND METHODS OF MAKING AND USING THE SAME PROKR1, ARG1, ARG2 CA12 4447/4885CA1 3502/4885CA2 3747/4885

“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.