SCHEMBL15060977

SCHEMBL15060977

CCCCCc1ccc(-n2cc(-c3ccccn3)nn2)cc1

nearest known ligand 0.64

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
FLT3 P36888 4/20 0.64
MIF P14174 2/20 0.60
CA12 O43570 1/20 0.56
CA1 P00915 1/20 0.56
CA2 P00918 1/20 0.56
CA9 Q16790 1/20 0.56
GSK3B P49841 1/20 0.51
S1PR1 P21453 5/20 0.49
BCHE P06276 1/20 0.48
GRM5 P41594 1/20 0.47
MEN1 O00255 1/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
KMT2A Q03164 1/20 0.43

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
SCHEMBL13527251 0.99 FLT3 (0.62) FLT3MIFCA12CA1CA2
SCHEMBL13527019 0.87 FLT3 (0.60) FLT3MIFCA12CA1CA2
SCHEMBL21157711 0.87 FLT3 (0.60) FLT3MIFCA12CA1CA2
SCHEMBL30291136 0.80 FLT3 (0.68) FLT3MIFCA12CA1CA2
SCHEMBL29158520 0.78 FLT3 (1.00) FLT3MIFCA12CA1CA2
SCHEMBL15060890 0.78 CA12 (0.62) MIFCA12CA1CA2CA9
SCHEMBL6953018 0.78 FLT3 (0.77) FLT3MIFCA12CA1CA2
SCHEMBL15923722 0.77 CA12 (0.61) MIFCA12CA1CA2CA9
SCHEMBL13527240 0.77 CA12 (0.61) MIFCA12CA1CA2CA9
SCHEMBL16479605 0.76 BCHE (0.56) MIFCA12CA1CA2CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170349621-A1 TRIAZOLE COMPOUNDS AND METHODS OF MAKING AND USING THE SAME BioVersys AG (CH) 2017-12-07 US disclosed
US-20160152654-A1 TRIAZOLE COMPOUNDS AND METHODS OF MAKING AND USING THE SAME BioVersys AG (CH) 2016-06-02 US disclosed
US-9085600-B2 Triazole compounds and methods of making and using the same MELINTA THERAPEUTICS, INC. (US) 2015-07-21 US disclosed
US-20140094422-A1 Triazole Compounds and Methods of Making and Using the Same SILICON VALLEY BANK 2014-04-03 US disclosed
US-8470985-B2 Triazole compounds and methods of making and using the same RIB-X PHARMACEUTICALS, INC. (US) 2013-06-25 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 (3 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-20170349621-A1 TRIAZOLE COMPOUNDS AND METHODS OF MAKING AND USING THE SAME PROKR1, ARG1, ARG2 FLT3 1188/4885MIF 196/4885CA12 4447/4885
US-20140094422-A1 Triazole Compounds and Methods of Making and Using the Same PROKR1, ARG1, ARG2 FLT3 1188/4885MIF 196/4885CA12 4447/4885
US-20160152654-A1 TRIAZOLE COMPOUNDS AND METHODS OF MAKING AND USING THE SAME PROKR1, ARG1, ARG2 FLT3 1188/4885MIF 196/4885CA12 4447/4885

“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.