SCHEMBL2053197

SCHEMBL2053197

CCCn1nccc1-c1cc(C)cs1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR3C2 P08235 1/20 0.42
GRIN1 Q05586 4/20 0.36
GRIN2B Q13224 4/20 0.36
ADRA1A P35348 1/20 0.34
ADORA2A P29274 1/20 0.32
ADORA2B P29275 1/20 0.32
GABRA1 P14867 1/20 0.32
GABRG2 P18507 1/20 0.32
GABRB3 P28472 1/20 0.32
GABRA5 P31644 1/20 0.32
GABRA3 P34903 1/20 0.32
GABRA2 P47869 1/20 0.32
TDP2 O95551 2/20 0.32
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2D6 P10635 1/20 0.31
CYP19A1 P11511 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31
SLC6A7 Q99884 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
SCHEMBL2050668 0.88 GRIN2B (0.38) NR3C2GRIN1GRIN2BADRA1ACYP2C9
SCHEMBL2053272 0.79 COMT (0.41) GRIN1GRIN2BGABRA1GABRG2GABRB3
SCHEMBL2049847 0.75 KDM4E (0.44) NR3C2ADRA1ACYP1A2CYP3A4CYP2D6
SCHEMBL2053415 0.74 L3MBTL1 (0.41) GRIN1GRIN2B
SCHEMBL2053669 0.72 CCNK (0.38) NR3C2ADRA1A
SCHEMBL2052712 0.72 NR3C2 (0.40) NR3C2GRIN1GRIN2BGABRA1GABRG2
SCHEMBL12681366 0.69 NR3C2 (0.50) NR3C2ADRA1AADORA2ACYP1A2CYP3A4
SCHEMBL294280 0.67
SCHEMBL2050809 0.67 MET (0.40) GRIN1GRIN2BTDP2MET
SCHEMBL3341045 0.66 NR3C2 (0.50) NR3C2ADRA1ACYP1A2CYP3A4CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2516423-A1 THIENYLPYRI (MI) DINYLAZOLE AND THEIR USE FOR CONTROLLING PHYTOPATHOGENIC FUNGI Bayer CropScience AG (DE) 2012-10-31 EP disclosed
US-20110237588-A1 Thienylpyri(mi)dinylazole BAYER CROPSCIENCE AG (DE) 2011-09-29 US disclosed
WO-2011076725-A1 THIENYLPYRI (MI) DINYLAZOLE AND THEIR USE FOR CONTROLLING PHYTOPATHOGENIC FUNGI BAYER CROPSCIENCE AG (DE) 2011-06-30 WO 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-20110237588-A1 Thienylpyri(mi)dinylazole PADI1, TH, H1-3 NR3C2 1253/4885GRIN1 417/4885GRIN2B 2239/4885

“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.