SCHEMBL2564060

SCHEMBL2564060

CC(C)(CNc1cnc(-c2cccc(C#N)c2)nn1)c1ccc(F)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRG2 P18507 6/20 0.42
GABRB3 P28472 6/20 0.42
GABRA5 P31644 6/20 0.42
GABRA3 P34903 6/20 0.42
CLK4 Q9HAZ1 9/20 0.40
CYP1A2 P05177 6/20 0.39
CYP3A4 P08684 6/20 0.39
MAPK1 P28482 5/20 0.39
ALDH1A1 P00352 4/20 0.39
DYRK1A Q13627 2/20 0.39
VNN1 O95497 1/20 0.39
CYP2C19 P33261 5/20 0.39
CYP2D6 P10635 4/20 0.39
USP2 O75604 2/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
LMNA P02545 3/20 0.39
ALOX15 P16050 2/20 0.38
TSHR P16473 2/20 0.38
HSD17B10 Q99714 2/20 0.38

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
SCHEMBL2563828 0.84 VNN1 (0.36) CLK4CYP1A2CYP3A4MAPK1VNN1
SCHEMBL12287811 0.83 GABRG2 (0.43) GABRG2GABRB3GABRA5GABRA3CLK4
SCHEMBL12287314 0.82 TRPA1 (0.42) GABRG2GABRB3GABRA5GABRA3CLK4
SCHEMBL2565358 0.81 CLK1 (0.41)
SCHEMBL13718098 0.78 TRPA1 (0.40) GABRG2GABRB3GABRA5GABRA3CLK4
SCHEMBL12289882 0.76 GABRG2 (0.44) GABRG2GABRB3GABRA5GABRA3CLK4
SCHEMBL2563223 0.74 NPY5R (0.38) GABRG2GABRB3GABRA5GABRA3ALDH1A1
SCHEMBL2567288 0.74 DPP4 (0.42) ALDH1A1VNN1
SCHEMBL17916796 0.74 FPR2 (0.40)
SCHEMBL21170103 0.73 NPC1 (0.38) GABRG2GABRB3GABRA5GABRA3ALDH1A1

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 13 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
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
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
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 GABRG2 2153/4885GABRB3 2742/4885GABRA5 544/4885
US-20130150368-A1 CERTAIN AMINO-PYRIDINES AND AMINO-TRIAZINES, COMPOSITIONS THEREOF, AND METHODS FOR THEIR USE SLC7A1, PRMT5, H1-5 GABRG2 2153/4885GABRB3 2742/4885GABRA5 544/4885

“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.