SCHEMBL12386166

SCHEMBL12386166

[C-]#[N+]C1=C(C)NC(C)=C(C#N)C1c1ccc2[nH]nc(NS(=O)(=O)CCC(=O)OCC)c2c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MET P08581 13/20 0.48
RPS6KA3 P51812 1/20 0.37
PLK4 O00444 2/20 0.34
AURKA O14965 2/20 0.34
MAPK13 O15264 2/20 0.34
DAPK3 O43293 2/20 0.34
JAK2 O60674 2/20 0.34
PRKCG P05129 2/20 0.34
CDK1 P06493 2/20 0.34
RPS6KB1 P23443 2/20 0.34
CDK2 P24941 2/20 0.34
TYK2 P29597 2/20 0.34
CLK2 P49760 2/20 0.34
GSK3A P49840 2/20 0.34
GSK3B P49841 2/20 0.34
JAK3 P52333 2/20 0.34
LIMK1 P53667 2/20 0.34
MAPK12 P53778 2/20 0.34
CDK5 Q00535 2/20 0.34
DYRK1A Q13627 2/20 0.34

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
SCHEMBL2300557 0.92 MET (0.53) METRPS6KA3PLK4AURKAMAPK13
SCHEMBL12386167 0.89 MET (0.59) METRPS6KA3PLK4AURKAMAPK13
SCHEMBL12386151 0.87 MET (0.49) METRPS6KA3GABRA1TMEM97MAPK1
SCHEMBL12386165 0.84 MET (0.46) METRPS6KA3GABRA1TMEM97KDM4E
SCHEMBL12386156 0.82 MET (0.46) METRPS6KA3PLK4AURKAMAPK13
SCHEMBL12386134 0.81 GABRA1 (0.38) METRPS6KA3GABRA1TMEM97KDM4E
SCHEMBL12386159 0.81 MET (0.44) METRPS6KA3KDM4EALDH1A1MAPT
SCHEMBL12386157 0.81 MET (0.49) METRPS6KA3GABRA1TMEM97KDM4E
SCHEMBL1414986 0.80 MET (0.66) METRPS6KA3PLK4AURKAMAPK13
SCHEMBL9906884 0.80 MET (0.48) METRPS6KA3MAPK1KDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8551989-B2 Substituted 4-(indazolyl)-1,4-dihydropyridines and methods of use thereof BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-10-08 US disclosed
US-20110207731-A1 SUBSTITUTED 4-(INDAZOLYL)-1,4-DIHYDROPYRIDINES AND METHODS OF USE THEREOF BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2011-08-25 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 (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-20110207731-A1 SUBSTITUTED 4-(INDAZOLYL)-1,4-DIHYDROPYRIDINES AND METHODS OF USE THEREOF MET, ERBB4, RET MET 1/4885RPS6KA3 752/4885PLK4 1205/4885

“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.