SCHEMBL1145686

SCHEMBL1145686

Cc1ncc(C#N)c(Cl)c1Br

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CSNK1A1 P48729 1/20 0.39
CLK4 Q9HAZ1 1/20 0.39
ABL1 P00519 1/20 0.37
KDR P35968 1/20 0.37
NPSR1 Q6W5P4 3/20 0.35
ALDH1A1 P00352 3/20 0.35
KDM4E B2RXH2 2/20 0.35
HPGD P15428 1/20 0.35
KMT2A Q03164 1/20 0.35
CHRNB2 P17787 4/20 0.33
CHRNB4 P30926 4/20 0.33
CHRNA3 P32297 4/20 0.33
CHRNA4 P43681 4/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
PIN1 Q13526 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
LRRK2 Q5S007 1/20 0.31
SRC P12931 3/20 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
SCHEMBL18299745 0.80 TSHR (0.35) CSNK1A1CLK4ABL1KDRNPSR1
SCHEMBL31409720 0.77 KDM4E (0.40) CSNK1A1CLK4ABL1KDRNPSR1
SCHEMBL1145552 0.77 CSNK1A1 (0.39) CSNK1A1CLK4NPSR1ALDH1A1KDM4E
SCHEMBL1146196 0.77 CSNK1A1 (0.36) CSNK1A1CLK4ABL1KDRALDH1A1
SCHEMBL1145865 0.77 CSNK1A1 (0.36) CSNK1A1CLK4ABL1KDRALDH1A1
SCHEMBL19741191 0.76 CSNK1A1 (0.41) CSNK1A1CLK4NPSR1ALDH1A1KDM4E
SCHEMBL2981053 0.73 CSNK1A1 (0.39) CSNK1A1CLK4ABL1KDRNPSR1
SCHEMBL18495799 0.73 NPC1 (0.31) KMT2A
SCHEMBL20302398 0.72 CSNK1A1 (0.41) CSNK1A1CLK4NPSR1ALDH1A1KDM4E
SCHEMBL5051672 0.72 LRRK2 (0.36) CSNK1A1CLK4NPSR1ALDH1A1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110028455-A1 Indole-substituted 3-cyanopyridines As Kinase Inhibitors WYETH LLC (US) 2011-02-03 US disclosed
US-20110028455-A1 Indole-substituted 3-cyanopyridines As Kinase Inhibitors WYETH LLC (US) 2011-02-03 US disclosed
US-20110028455-A1 Indole-substituted 3-cyanopyridines As Kinase Inhibitors WYETH LLC (US) 2011-02-03 US disclosed
EP-2229377-A1 5-ALKYL/ALKENYL-3-CYANOPYRIDINES AS KINASE INHIBITORS Wyeth LLC (US) 2010-09-22 EP disclosed
EP-2229376-A1 INDOLE-SUBSTITUTED 3-CYANOPYRIDINES AS KINASE INHIBITORS Wyeth LLC (US) 2010-09-22 EP disclosed
WO-2009076571-A1 INDOLE-SUBSTITUTED 3-CYANOPYRIDINES AS KINASE INHIBITORS WYETH (US) 2009-06-18 WO disclosed
WO-2009076571-A1 INDOLE-SUBSTITUTED 3-CYANOPYRIDINES AS KINASE INHIBITORS WYETH (US) 2009-06-18 WO disclosed
WO-2009076602-A1 5-ALKYL/ALKENYL-3-CYANOPYRIDINES AS KINASE INHIBITORS WYETH (US) 2009-06-18 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 (1 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-20110028455-A1 Indole-substituted 3-cyanopyridines As Kinase Inhibitors CNKSR1, CSNK1G3, GRK3 CSNK1A1 21/4885CLK4 364/4885ABL1 432/4885

“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.