SCHEMBL15024872

SCHEMBL15024872

NC(=O)c1ccc(F)c(-c2cnc(NC[C@]3(c4ncccc4F)C[C@H](F)C3)nn2)c1

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 1/20 0.41
VNN1 O95497 4/20 0.34
RORC P51449 3/20 0.34
FGFR4 P22455 1/20 0.33
SLC6A9 P48067 6/20 0.32
PDE4B Q07343 1/20 0.32
PTK2 Q05397 2/20 0.32
CCNE2 O96020 1/20 0.32
CCNE1 P24864 1/20 0.32
CDK2 P24941 1/20 0.32
MKNK1 Q9BUB5 1/20 0.31
MKNK2 Q9HBH9 1/20 0.31

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
SCHEMBL15009045 1.00 KCNH2 (0.41) KCNH2VNN1RORCFGFR4SLC6A9
SCHEMBL15008820 0.93 KCNH2 (0.40) KCNH2VNN1RORCPTK2CCNE1
SCHEMBL15024818 0.93 KCNH2 (0.40) KCNH2VNN1RORCPTK2CCNE1
SCHEMBL2576898 0.93 KCNH2 (0.37) KCNH2VNN1RORCSLC6A9
SCHEMBL2576904 0.93 KCNH2 (0.37) KCNH2VNN1RORCSLC6A9
SCHEMBL15024785 0.93 KCNH2 (0.34) KCNH2VNN1RORCFGFR4SLC6A9
SCHEMBL15009359 0.93 KCNH2 (0.34) KCNH2VNN1RORCFGFR4SLC6A9
SCHEMBL15024714 0.92 KCNH2 (0.35) KCNH2VNN1RORCSLC6A9PDE4B
SCHEMBL2574547 0.91 KDR (0.36) KCNH2VNN1RORCSLC6A9PDE4B
SCHEMBL12293921 0.91 KDR (0.36) KCNH2VNN1RORCSLC6A9PDE4B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9994528-B2 Certain amino-pyridines and amino-triazines, compositions thereof, and methods for their use CYTOKINETICS, INC. (US) 2018-06-12 US disclosed
US-9994528-B2 Certain amino-pyridines and amino-triazines, compositions thereof, and methods for their use CYTOKINETICS, INC. (US) 2018-06-12 US disclosed
US-20160200717-A1 CERTAIN AMINO-PYRIDINES AND AMINO-TRIAZINES, COMPOSITIONS THEREOF, AND METHODS FOR THEIR USE CYTOKINETICS INC (US) 2016-07-14 US disclosed
US-20160200717-A1 CERTAIN AMINO-PYRIDINES AND AMINO-TRIAZINES, COMPOSITIONS THEREOF, AND METHODS FOR THEIR USE CYTOKINETICS INC (US) 2016-07-14 US disclosed
EP-2560488-B1 CERTAIN AMINO-PYRIDINES AND AMINO-TRIAZINES, COMPOSITIONS THEREOF, AND METHODS FOR THEIR USE CYTOKINETICS INC (US) 2015-10-28 EP disclosed
US-9133123-B2 Certain amino-pyridines and amino-triazines, compositions thereof, and methods for their use CYTOKINETICS, INC. (US) 2015-09-15 US disclosed
US-9133123-B2 Certain amino-pyridines and amino-triazines, compositions thereof, and methods for their use CYTOKINETICS, INC. (US) 2015-09-15 US disclosed
US-20130150368-A1 CERTAIN AMINO-PYRIDINES AND AMINO-TRIAZINES, COMPOSITIONS THEREOF, AND METHODS FOR THEIR USE CYTOKINETICS, INC. (US) 2013-06-13 US disclosed
US-20130150368-A1 CERTAIN AMINO-PYRIDINES AND AMINO-TRIAZINES, COMPOSITIONS THEREOF, AND METHODS FOR THEIR USE CYTOKINETICS, INC. (US) 2013-06-13 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-20160200717-A1 CERTAIN AMINO-PYRIDINES AND AMINO-TRIAZINES, COMPOSITIONS THEREOF, AND METHODS FOR THEIR USE SLC7A1, PRMT5, H1-5 KCNH2 463/4885VNN1 4156/4885RORC 530/4885
US-20130150368-A1 CERTAIN AMINO-PYRIDINES AND AMINO-TRIAZINES, COMPOSITIONS THEREOF, AND METHODS FOR THEIR USE SLC7A1, PRMT5, H1-5 KCNH2 463/4885VNN1 4156/4885RORC 530/4885

“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.