SCHEMBL12386133

SCHEMBL12386133

[C-]#[N+]C1=C(C)NC(C)=C(C#N)C1c1ccc2c(c1)c(NS(=O)(=O)Cc1ccc(F)cc1)nn2C(=O)OC(C)(C)C

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MET P08581 5/20 0.40
GABRA1 P14867 1/20 0.38
TMEM97 Q5BJF2 1/20 0.38
NR3C2 P08235 2/20 0.38
KDM4E B2RXH2 2/20 0.33
ALDH1A1 P00352 2/20 0.33
MAPT P10636 2/20 0.33
HSD17B10 Q99714 2/20 0.33
HPGD P15428 1/20 0.33
CASP1 P29466 1/20 0.33
P2RY12 Q9H244 2/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2C9 P11712 1/20 0.31
RPS6KA3 P51812 1/20 0.31
HTT P42858 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30
JAK2 O60674 1/20 0.30
JAK1 P23458 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
SCHEMBL1415041 0.93 GABRA1 (0.43) METGABRA1TMEM97NR3C2KDM4E
SCHEMBL12386137 0.89 GABRA1 (0.40) METGABRA1TMEM97NR3C2KDM4E
SCHEMBL12386134 0.86 GABRA1 (0.38) METGABRA1TMEM97NR3C2KDM4E
SCHEMBL9906879 0.85 GABRA1 (0.43) METGABRA1TMEM97NR3C2KDM4E
SCHEMBL1414955 0.84 GABRA1 (0.46) METGABRA1TMEM97NR3C2KDM4E
SCHEMBL9906881 0.83 GABRA1 (0.42) METGABRA1TMEM97NR3C2KDM4E
SCHEMBL9906866 0.82 GABRA1 (0.41) METGABRA1TMEM97NR3C2KDM4E
SCHEMBL1414950 0.81 GABRA1 (0.46) METGABRA1TMEM97NR3C2KDM4E
SCHEMBL9906872 0.81 GABRA1 (0.41) METGABRA1TMEM97NR3C2KDM4E
SCHEMBL9906878 0.80 GABRA1 (0.40) METGABRA1TMEM97NR3C2KDM4E

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 1/4885GABRA1 3260/4885TMEM97 999/4885

“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.