SCHEMBL12386157

SCHEMBL12386157

[C-]#[N+]C1=C(C)NC(C)=C(C#N)C1c1ccc2[nH]nc(NS(=O)(=O)Cc3ccc(F)cc3)c2c1

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MET P08581 17/20 0.49
RPS6KA3 P51812 1/20 0.39
GAK O14976 1/20 0.36
STK16 O75716 1/20 0.36
AAK1 Q2M2I8 1/20 0.36
BMP2K Q9NSY1 1/20 0.36
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
GABRA1 P14867 1/20 0.32
TMEM97 Q5BJF2 1/20 0.32
DRD5 P21918 1/20 0.32
HTR2C P28335 1/20 0.32
HTR6 P50406 1/20 0.32

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
SCHEMBL12386159 0.92 MET (0.44) METRPS6KA3KDM4EALDH1A1MAPT
SCHEMBL1414865 0.92 MET (0.49) METRPS6KA3GAKSTK16AAK1
SCHEMBL12386167 0.86 MET (0.59) METRPS6KA3KDM4EALDH1A1MAPT
SCHEMBL12386151 0.86 MET (0.49) METRPS6KA3KDM4EALDH1A1MAPT
SCHEMBL12386165 0.85 MET (0.46) METRPS6KA3GAKSTK16AAK1
SCHEMBL1415166 0.83 MET (0.49) METRPS6KA3KDM4EALDH1A1MAPT
SCHEMBL12386156 0.81 MET (0.46) METRPS6KA3KDM4EALDH1A1MAPT
SCHEMBL12386166 0.81 MET (0.48) METRPS6KA3KDM4EALDH1A1MAPT
SCHEMBL9906884 0.81 MET (0.48) METRPS6KA3KDM4EALDH1A1MAPT
SCHEMBL12386133 0.79 MET (0.40) METRPS6KA3KDM4EALDH1A1MAPT

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 752/4885GAK 1165/4885

“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.