SCHEMBL12386151

SCHEMBL12386151

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

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MET P08581 17/20 0.49
RPS6KA3 P51812 1/20 0.40
MAPK1 P28482 1/20 0.38
GABRA1 P14867 1/20 0.34
TMEM97 Q5BJF2 1/20 0.34
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
MAPT P10636 1/20 0.33
HPGD P15428 1/20 0.33
CASP1 P29466 1/20 0.33
HSD17B10 Q99714 1/20 0.33

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
SCHEMBL1415086 0.92 MET (0.54) METRPS6KA3MAPK1GABRA1TMEM97
SCHEMBL12386167 0.91 MET (0.59) METRPS6KA3MAPK1KDM4EALDH1A1
SCHEMBL12386165 0.87 MET (0.46) METRPS6KA3GABRA1TMEM97KDM4E
SCHEMBL12386166 0.87 MET (0.48) METRPS6KA3MAPK1GABRA1TMEM97
SCHEMBL12386157 0.86 MET (0.49) METRPS6KA3GABRA1TMEM97KDM4E
SCHEMBL12386159 0.86 MET (0.44) METRPS6KA3KDM4EALDH1A1MAPT
SCHEMBL12386156 0.85 MET (0.46) METRPS6KA3GABRA1TMEM97KDM4E
SCHEMBL9906884 0.82 MET (0.48) METRPS6KA3MAPK1KDM4EALDH1A1
SCHEMBL1414986 0.82 MET (0.66) METRPS6KA3MAPK1GABRA1TMEM97
SCHEMBL9906882 0.80 MET (0.46) 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 752/4885MAPK1 812/4885

“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.