SCHEMBL2053669

SCHEMBL2053669

CCn1nccc1-c1cc(Br)cs1

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CCNK O75909 1/20 0.38
CDK12 Q9NYV4 1/20 0.38
ALK Q9UM73 1/20 0.34
MEN1 O00255 3/20 0.33
KMT2A Q03164 3/20 0.33
ALDH1A1 P00352 2/20 0.33
S1PR1 P21453 1/20 0.33
SLC13A5 Q86YT5 1/20 0.32
ADRA1A P35348 1/20 0.32
ABL1 P00519 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
NR3C2 P08235 1/20 0.31
RAB9A P51151 2/20 0.31
NPC1 O15118 1/20 0.31
LATS1 O95835 1/20 0.30
HTT P42858 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 0.84 GRIN2B (0.38) CCNKCDK12ALKMEN1KMT2A
SCHEMBL2052062 0.74 NR3C2 (0.40) NR3C2NPC1
SCHEMBL2049844 0.73 KDM4E (0.46) CCNKCDK12ALKMEN1KMT2A
SCHEMBL2053197 0.72 NR3C2 (0.42) ADRA1ANR3C2
SCHEMBL21858853 0.71 MEN1 (0.39) CCNKCDK12ALKMEN1KMT2A
SCHEMBL16348324 0.69 GFER (0.46) CCNKCDK12MEN1KMT2AADRA1A
SCHEMBL12681327 0.67 CCNK (0.39) CCNKCDK12ALKMEN1KMT2A
SCHEMBL24526832 0.67
SCHEMBL27791842 0.66 SLC13A5 (0.44) ALKMEN1KMT2AALDH1A1SLC13A5
SCHEMBL17066883 0.65 ALK (0.50) CCNKCDK12ALKMEN1KMT2A

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 CCNK 952/4885CDK12 2254/4885ALK 3408/4885

“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.