SCHEMBL2574547

SCHEMBL2574547

CNC(=O)c1ccc(F)c(-c2cnc(NCC3(c4ncccc4F)CC(F)C3)nn2)c1

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDR P35968 2/20 0.36
KCNH2 Q12809 1/20 0.34
PDE4B Q07343 1/20 0.34
PLK1 P53350 1/20 0.33
SLC6A9 P48067 8/20 0.33
GRM4 Q14833 1/20 0.33
VNN1 O95497 1/20 0.32
KIT P10721 2/20 0.32
NTRK1 P04629 1/20 0.32
PDGFRB P09619 1/20 0.32
FGFR1 P11362 1/20 0.32
FGFR3 P22607 1/20 0.32
FLT3 P36888 1/20 0.32
FFAR1 O14842 1/20 0.32
LCK P06239 1/20 0.32
MAPK14 Q16539 1/20 0.32
RORC P51449 1/20 0.31
MAP4K1 Q92918 1/20 0.31
PDK2 Q15119 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
SCHEMBL12293921 1.00 KDR (0.36) KDRKCNH2PDE4BPLK1SLC6A9
SCHEMBL12294512 0.94 KCNH2 (0.34) KDRKCNH2PDE4BPLK1SLC6A9
SCHEMBL12294510 0.93 KDR (0.34) KDRPDE4BPLK1SLC6A9GRM4
SCHEMBL15024714 0.92 KCNH2 (0.35) KCNH2PDE4BSLC6A9GRM4VNN1
SCHEMBL2576904 0.91 KCNH2 (0.37) KCNH2SLC6A9GRM4VNN1FLT3
SCHEMBL15024872 0.91 KCNH2 (0.41) KCNH2PDE4BSLC6A9VNN1RORC
SCHEMBL2576898 0.91 KCNH2 (0.37) KCNH2SLC6A9GRM4VNN1FLT3
SCHEMBL15009045 0.91 KCNH2 (0.41) KCNH2PDE4BSLC6A9VNN1RORC
SCHEMBL12294320 0.90 KCNH2 (0.44) KDRKCNH2PDE4BPLK1SLC6A9
SCHEMBL12294520 0.89 MET (0.37) KDRKCNH2VNN1FFAR1RORC

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 7 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-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-20130150368-A1 CERTAIN AMINO-PYRIDINES AND AMINO-TRIAZINES, COMPOSITIONS THEREOF, AND METHODS FOR THEIR USE CYTOKINETICS, INC. (US) 2013-06-13 US disclosed
EP-2560488-A1 CERTAIN AMINO-PYRIDINES AND AMINO-TRIAZINES, COMPOSITIONS THEREOF, AND METHODS FOR THEIR USE Cytokinetics, Inc. (US) 2013-02-27 EP disclosed
WO-2011133920-A1 CERTAIN AMINO-PYRIDINES AND AMINO-TRIAZINES, COMPOSITIONS THEREOF, AND METHODS FOR THEIR USE CYTOKINETICS, INC. (US) 2011-10-27 WO 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 KDR 3538/4885KCNH2 463/4885PDE4B 472/4885
US-20130150368-A1 CERTAIN AMINO-PYRIDINES AND AMINO-TRIAZINES, COMPOSITIONS THEREOF, AND METHODS FOR THEIR USE SLC7A1, PRMT5, H1-5 KDR 3538/4885KCNH2 463/4885PDE4B 472/4885

“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.