SCHEMBL16263161

SCHEMBL16263161

CC(C)(C)Cn1cc(-c2cccnc2)nn1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 4/20 0.54
TEK Q02763 4/20 0.54
NAMPT P43490 3/20 0.54
EPHB4 P54760 1/20 0.54
HDAC3 O15379 4/20 0.51
HDAC1 Q13547 4/20 0.51
HDAC2 Q92769 4/20 0.51
HDAC4 P56524 3/20 0.51
HDAC7 Q8WUI4 3/20 0.51
HDAC10 Q969S8 3/20 0.51
HDAC11 Q96DB2 3/20 0.51
HDAC8 Q9BY41 3/20 0.51
HDAC6 Q9UBN7 3/20 0.51
HDAC9 Q9UKV0 3/20 0.51
HDAC5 Q9UQL6 3/20 0.51
MIF P14174 1/20 0.48
NCOR2 Q9Y618 1/20 0.47
DPP4 P27487 1/20 0.46
DRD2 P14416 1/20 0.46
DRD4 P21917 1/20 0.46

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
SCHEMBL18625974 0.87 KDR (0.51) KDRTEKNAMPTEPHB4HDAC3
SCHEMBL16284869 0.86 NAMPT (0.58) KDRTEKNAMPTEPHB4HDAC3
SCHEMBL12369721 0.83 KDR (0.58) KDRTEKNAMPTEPHB4HDAC3
SCHEMBL12251051 0.83 CYP19A1 (0.60) KDRTEKEPHB4HDAC3HDAC1
SCHEMBL12396047 0.81 NAMPT (0.62) KDRTEKNAMPTEPHB4HDAC3
SCHEMBL16263153 0.80 CYP19A1 (0.57) KDRTEKEPHB4HDAC3HDAC1
SCHEMBL18625816 0.79 KDR (0.54) KDRTEKNAMPTEPHB4HDAC3
SCHEMBL13749827 0.77 NAMPT (0.69) KDRTEKNAMPTHDAC3HDAC1
SCHEMBL21470628 0.77 MIF (0.51) KDRTEKNAMPTEPHB4HDAC3
SCHEMBL12251050 0.77 TEK (0.55) KDRTEKEPHB4HDAC3HDAC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9771389-B2 Tylosin derivatives and method for preparation thereof THE KITASAKO INSTITUTE (JP) 2017-09-26 US disclosed
US-9771389-B2 Tylosin derivatives and method for preparation thereof THE KITASAKO INSTITUTE (JP) 2017-09-26 US disclosed
US-9593140-B2 Antibacterial tylosin derivatives and methods for their preparation BAYER INTELLECTUAL PROPERTY GMBH (DE) 2017-03-14 US disclosed
US-9593140-B2 Antibacterial tylosin derivatives and methods for their preparation BAYER INTELLECTUAL PROPERTY GMBH (DE) 2017-03-14 US disclosed
US-20160108077-A1 TYLOSIN DERIVATIVES AND METHOD FOR PREPARATION THEREOF THE KITASAKO INSTITUTE (JP) 2016-04-21 US disclosed
US-20140349954-A1 ANTIBACTERIAL TYLOSIN DERIVATIVES AND METHODS FOR THEIR PREPARATION ELANCO ANIMAL HEALTH GMBH (DE) 2014-11-27 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-20160108077-A1 TYLOSIN DERIVATIVES AND METHOD FOR PREPARATION THEREOF TMSB10, MLN, TMSB4X KDR 4825/4885TEK 2749/4885NAMPT 2083/4885
US-20140349954-A1 ANTIBACTERIAL TYLOSIN DERIVATIVES AND METHODS FOR THEIR PREPARATION MLN, TMSB10, TMSB4X KDR 4839/4885TEK 1734/4885NAMPT 2041/4885

“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.