SCHEMBL15009440

SCHEMBL15009440

N#Cc1ccc(F)c(-c2cnc(NC[C@]3(c4ncccc4F)C[C@H](F)C3)nn2)c1

nearest known ligand 0.34

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 1/20 0.34
P2RX7 Q99572 1/20 0.33
HCRTR1 O43613 1/20 0.30
VNN1 O95497 1/20 0.30
GABRG2 P18507 1/20 0.30
GABRB3 P28472 1/20 0.30
GABRA5 P31644 1/20 0.30
GABRA3 P34903 1/20 0.30

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
SCHEMBL15009444 1.00 GRM5 (0.34) GRM5P2RX7HCRTR1VNN1GABRG2
SCHEMBL12294518 0.92 GRM5 (0.33) GRM5P2RX7HCRTR1VNN1
SCHEMBL2564101 0.87 KCNH2 (0.38) GRM5P2RX7
SCHEMBL14998238 0.87 KCNH2 (0.38) GRM5P2RX7
SCHEMBL15002825 0.87 KCNH2 (0.38) GRM5P2RX7
SCHEMBL15009045 0.83 KCNH2 (0.41) VNN1
SCHEMBL2576904 0.83 KCNH2 (0.37) VNN1
SCHEMBL2576898 0.83 KCNH2 (0.37) VNN1
SCHEMBL15024872 0.83 KCNH2 (0.41) VNN1
SCHEMBL15024714 0.83 KCNH2 (0.35) VNN1

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 10 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

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 GRM5 145/4885P2RX7 143/4885HCRTR1 2059/4885
US-20130150368-A1 CERTAIN AMINO-PYRIDINES AND AMINO-TRIAZINES, COMPOSITIONS THEREOF, AND METHODS FOR THEIR USE SLC7A1, PRMT5, H1-5 GRM5 145/4885P2RX7 143/4885HCRTR1 2059/4885

“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.