SCHEMBL1146196

SCHEMBL1146196

CC(C)c1ncc(C#N)c(Cl)c1Br

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CSNK1A1 P48729 1/20 0.36
CLK4 Q9HAZ1 1/20 0.36
HTT P42858 1/20 0.34
PIN1 Q13526 1/20 0.33
LRRK2 Q5S007 1/20 0.32
ALDH1A1 P00352 2/20 0.31
HPGD P15428 2/20 0.31
SMN1; SMN2 Q16637 2/20 0.31
KDM5A P29375 1/20 0.31
NPC1 O15118 1/20 0.31
POLB P06746 1/20 0.31
RAB9A P51151 1/20 0.31
ABL1 P00519 1/20 0.31
KDR P35968 1/20 0.31
S1PR1 P21453 1/20 0.31
S1PR3 Q99500 1/20 0.31
MAP3K8 P41279 1/20 0.31
MAPK1 P28482 1/20 0.30
EGFR P00533 1/20 0.30
ERBB2 P04626 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
SCHEMBL13820162 0.77 CSNK1A1 (0.34) CSNK1A1CLK4HTTPIN1LRRK2
SCHEMBL1145686 0.77 CSNK1A1 (0.39) CSNK1A1CLK4PIN1LRRK2ALDH1A1
SCHEMBL1145865 0.72 CSNK1A1 (0.36) CSNK1A1CLK4HTTALDH1A1HPGD
SCHEMBL12186129 0.71 S1PR1 (0.38) CSNK1A1CLK4HTTALDH1A1HPGD
SCHEMBL18999987 0.71 LRRK2 (0.35) CSNK1A1CLK4HTTLRRK2ALDH1A1
SCHEMBL24827277 0.69 TLR9 (0.41) CSNK1A1CLK4HTTPIN1LRRK2
SCHEMBL15934911 0.68 ALDH1A1 (0.39) HTTLRRK2ALDH1A1HPGDSMN1; SMN2
SCHEMBL2872592 0.66 CSNK1A1 (0.35) CSNK1A1CLK4HTTLRRK2ALDH1A1
SCHEMBL20691191 0.66 CSNK1A1 (0.35) CSNK1A1CLK4HTTLRRK2ALDH1A1
SCHEMBL2981053 0.66 CSNK1A1 (0.39) CSNK1A1CLK4HTTPIN1LRRK2

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 5 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
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-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 364/4885HTT 4745/4885

“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.