SCHEMBL2050668

SCHEMBL2050668

CCn1nccc1-c1cc(C)cs1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIN2B Q13224 4/20 0.38
GRIN1 Q05586 3/20 0.38
CCNK O75909 1/20 0.38
CDK12 Q9NYV4 1/20 0.38
S1PR1 P21453 1/20 0.35
ALK Q9UM73 1/20 0.34
MEN1 O00255 3/20 0.33
KMT2A Q03164 3/20 0.33
ALDH1A1 P00352 2/20 0.33
RAB9A P51151 2/20 0.33
NPC1 O15118 1/20 0.33
SLC13A5 Q86YT5 1/20 0.32
ADRA1A P35348 1/20 0.32
ABL1 P00519 1/20 0.32
SLC6A7 Q99884 1/20 0.32
MET P08581 1/20 0.32
SMN1; SMN2 Q16637 2/20 0.31
MAPT P10636 1/20 0.31
HPGD P15428 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31

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
SCHEMBL2053197 0.88 NR3C2 (0.42) GRIN2BGRIN1ADRA1ASLC6A7MET
SCHEMBL2053669 0.84 CCNK (0.38) CCNKCDK12S1PR1ALKMEN1
SCHEMBL2053272 0.78 COMT (0.41) GRIN2BGRIN1S1PR1ALDH1A1RAB9A
SCHEMBL2053415 0.76 L3MBTL1 (0.41) GRIN2BGRIN1ALDH1A1HPGD
SCHEMBL2052712 0.74 NR3C2 (0.40) GRIN2BGRIN1ALDH1A1SLC6A7NR3C2
SCHEMBL2049844 0.73 KDM4E (0.46) CCNKCDK12ALKMEN1KMT2A
SCHEMBL23923818 0.69 CCNK (0.38) CCNKCDK12ALKMEN1KMT2A
SCHEMBL12681327 0.67 CCNK (0.39) CCNKCDK12ALKMEN1KMT2A
SCHEMBL27791842 0.66 SLC13A5 (0.44) ALKMEN1KMT2AALDH1A1RAB9A
SCHEMBL9773308 0.65 DAO (0.44) GRIN2BGRIN1SLC6A7MET

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 4 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
CN-102762551-A Thienylpyri (mi) dinylpyrazoles and their use for controlling phytopathogenic fungi BAYER CROPSCIENCE AG 2012-10-31 CN 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 GRIN2B 2239/4885GRIN1 417/4885CCNK 952/4885

“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.