SCHEMBL2935461

SCHEMBL2935461

N#Cc1cncc(I)c1Cl

nearest known ligand 0.36

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CSNK1A1 P48729 1/20 0.34
CLK4 Q9HAZ1 1/20 0.34
CYP11B2 P19099 3/20 0.34
CYP11B1 P15538 2/20 0.34
KMT2A Q03164 2/20 0.32
MEN1 O00255 1/20 0.32
ALDH1A1 P00352 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
TDP1 Q9NUW8 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
SCHEMBL23291787 0.84 CSNK1A1 (0.40) CSNK1A1CLK4CYP11B2CYP11B1KMT2A
SCHEMBL1920551 0.77 CYP11B2 (0.40) CSNK1A1CLK4CYP11B2CYP11B1KMT2A
SCHEMBL21927175 0.76 CYP11B1 (0.30) CYP11B2CYP11B1
SCHEMBL7228049 0.75
SCHEMBL2931936 0.74 CSNK1A1 (0.34) CSNK1A1CLK4CYP11B2CYP11B1KMT2A
SCHEMBL1215960 0.74 CYP11B2 (0.45) CYP11B2CYP11B1
SCHEMBL14157718 0.74 ALDH1A1 (0.37) CSNK1A1CLK4CYP11B2CYP11B1KMT2A
SCHEMBL2931592 0.74 TTR (0.40)
SCHEMBL30551593 0.74 TSHR (0.37) CYP11B2CYP11B1ALDH1A1
SCHEMBL13223329 0.74 TSHR (0.37) CYP11B2CYP11B1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2029543-B1 SUBSTITUTED 3-CYANOPYRIDINES AS PROTEIN KINASE INHIBITORS WYETH LLC (US) 2015-11-18 EP disclosed
EP-2029543-B1 SUBSTITUTED 3-CYANOPYRIDINES AS PROTEIN KINASE INHIBITORS WYETH LLC (US) 2015-11-18 EP disclosed
EP-2229377-A1 5-ALKYL/ALKENYL-3-CYANOPYRIDINES AS KINASE INHIBITORS Wyeth LLC (US) 2010-09-22 EP disclosed
US-7781591-B2 Substituted 3-cyanopyridines as protein kinase inhibitors WYETH LLC (US) 2010-08-24 US disclosed
US-7781591-B2 Substituted 3-cyanopyridines as protein kinase inhibitors WYETH LLC (US) 2010-08-24 US disclosed
WO-2009076602-A1 5-ALKYL/ALKENYL-3-CYANOPYRIDINES AS KINASE INHIBITORS WYETH (US) 2009-06-18 WO disclosed
EP-2029543-A2 SUBSTITUTED 3-CYANOPYRIDINES AS PROTEIN KINASE INHIBITORS Wyeth (US) 2009-03-04 EP disclosed
EP-2027093-A2 SUBSTITUTED CYANOPYRIDINES AS PROTEIN KINASE INHIBITORS Wyeth (US) 2009-02-25 EP disclosed
WO-2007146376-A2 SUBSTITUTED 3-CYANOPYRIDINES AS PROTEIN KINASE INHIBITORS WYETH (US) 2007-12-21 WO disclosed
WO-2007146323-A2 SUBSTITUTED CYANOPYRIDINES AS PROTEIN KINASE INHIBITORS WYETH (US) 2007-12-21 WO disclosed
US-20070287708-A1 Substituted 3-cyanopyridines as protein kinase inhibitors WYETH LLC 2007-12-13 US disclosed
US-20070287708-A1 Substituted 3-cyanopyridines as protein kinase inhibitors WYETH LLC 2007-12-13 US disclosed
US-20070287708-A1 Substituted 3-cyanopyridines as protein kinase inhibitors WYETH LLC 2007-12-13 US disclosed
US-20070287738-A1 Substituted Cyanopyridines as protein kinase inhibitors WYETH 2007-12-13 US disclosed
US-20070287738-A1 Substituted Cyanopyridines as protein kinase inhibitors WYETH 2007-12-13 US disclosed
US-20070287738-A1 Substituted Cyanopyridines as protein kinase inhibitors WYETH 2007-12-13 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-20070287708-A1 Substituted 3-cyanopyridines as protein kinase inhibitors CNKSR1, MAP3K1, MAP3K7 CSNK1A1 26/4885CLK4 268/4885CYP11B2 2155/4885
US-20070287738-A1 Substituted Cyanopyridines as protein kinase inhibitors CNKSR1, MAP3K1, MAP3K6 CSNK1A1 17/4885CLK4 129/4885CYP11B2 2676/4885

“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.