SCHEMBL21157717

SCHEMBL21157717

CC(C)CCCCc1ccc(-n2cc(-c3cccnc3)nn2)cc1

nearest known ligand 0.58

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MIF P14174 1/20 0.58
CA12 O43570 1/20 0.48
CA1 P00915 1/20 0.48
CA2 P00918 1/20 0.48
CA9 Q16790 1/20 0.48
USP1 O94782 1/20 0.46
S1PR1 P21453 7/20 0.46
CTSC P53634 1/20 0.42
CYP19A1 P11511 1/20 0.42
KDR P35968 3/20 0.42
EPHB4 P54760 1/20 0.42
FLT3 P36888 1/20 0.41
TEK Q02763 2/20 0.41
PTGS1 P23219 1/20 0.41
PTGS2 P35354 1/20 0.41
NAMPT P43490 1/20 0.39

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
SCHEMBL15060890 0.87 CA12 (0.62) MIFCA12CA1CA2CA9
SCHEMBL15923722 0.86 CA12 (0.61) MIFCA12CA1CA2CA9
SCHEMBL13527240 0.86 CA12 (0.61) MIFCA12CA1CA2CA9
SCHEMBL13527035 0.84 MIF (0.58) MIFCA12CA1CA2CA9
SCHEMBL16213084 0.84 MIF (0.67) MIFCA12CA1CA2CA9
SCHEMBL16220782 0.84 MIF (0.63) MIFCA12CA1CA2CA9
SCHEMBL21157711 0.80 FLT3 (0.60) MIFCA12CA1CA2CA9
SCHEMBL16212825 0.79 MIF (0.57) MIFCA12CA1CA2CA9
SCHEMBL21156448 0.78 CYP2A6 (0.53) CYP19A1FLT3
SCHEMBL13722780 0.76 NAMPT (0.65) KDREPHB4TEKNAMPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190211046-A1 TRIAZOLE COMPOUNDS AND METHODS OF MAKING AND USING THE SAME BioVersys AG (CH) 2019-07-11 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-20190211046-A1 TRIAZOLE COMPOUNDS AND METHODS OF MAKING AND USING THE SAME PROKR1, ARG1, ARG2 MIF 196/4885CA12 4447/4885CA1 3502/4885

“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.