SCHEMBL16479596

SCHEMBL16479596

CCCCCc1ccc(-n2cc(CN(C)C)nn2)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MIF P14174 2/20 0.60
BCHE P06276 1/20 0.55
NOTUM Q6P988 2/20 0.53
CA12 O43570 1/20 0.51
CA1 P00915 1/20 0.51
CA2 P00918 1/20 0.51
CA9 Q16790 1/20 0.51
S1PR1 P21453 6/20 0.47
SPHK1 Q9NYA1 1/20 0.44
KCNH2 Q12809 1/20 0.44
P2RX7 Q99572 2/20 0.43
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
HPGD P15428 1/20 0.42
CYP2C19 P33261 1/20 0.42
DDX3X O00571 1/20 0.41
FAAH O00519 1/20 0.41
MGLL Q99685 1/20 0.41

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
SCHEMBL17795660 0.99 MIF (0.59) MIFBCHENOTUMCA12CA1
SCHEMBL15060973 0.89 MIF (0.58) MIFBCHENOTUMCA12CA1
SCHEMBL13527222 0.88 MIF (0.56) MIFBCHENOTUMCA12CA1
SCHEMBL13527029 0.85 NOTUM (0.50) MIFBCHENOTUMCA12CA1
SCHEMBL21156932 0.85 NOTUM (0.50) MIFBCHENOTUMCA12CA1
SCHEMBL15060892 0.84 MIF (0.62) MIFBCHENOTUMCA12CA1
SCHEMBL15060865 0.84 MIF (0.66) MIFBCHENOTUMCA12CA1
SCHEMBL15060983 0.83 MIF (0.68) MIFBCHENOTUMCA12CA1
SCHEMBL13527307 0.83 MIF (0.64) MIFBCHENOTUMCA12CA1
SCHEMBL13527252 0.83 MIF (0.60) MIFBCHENOTUMCA12CA1

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 3 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-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

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-20170349621-A1 TRIAZOLE COMPOUNDS AND METHODS OF MAKING AND USING THE SAME PROKR1, ARG1, ARG2 MIF 196/4885BCHE 2005/4885NOTUM 3719/4885
US-20140094422-A1 Triazole Compounds and Methods of Making and Using the Same PROKR1, ARG1, ARG2 MIF 196/4885BCHE 2005/4885NOTUM 3719/4885

“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.