SCHEMBL2051408

SCHEMBL2051408

CCC(=O)Nc1cc(-c2cn(C(C)C)nc2-c2ccc(Cl)s2)ccn1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 6/20 0.42
JAK2 O60674 1/20 0.39
JAK1 P23458 1/20 0.39
TYK2 P29597 1/20 0.39
KDM4E B2RXH2 1/20 0.39
NPC1 O15118 3/20 0.38
RAB9A P51151 3/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
NR3C2 P08235 1/20 0.36
ALDH1A1 P00352 1/20 0.36
GAA P10253 1/20 0.36
ACVRL1 P37023 1/20 0.35
EGFR P00533 1/20 0.35
GRIN2B Q13224 1/20 0.35
POLB P06746 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
P2RX3 P56373 1/20 0.34
BRAF P15056 1/20 0.34
PIK3C3 Q8NEB9 1/20 0.34

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
SCHEMBL13506674 0.90 MEN1 (0.41) MAPK14NPC1RAB9AMEN1KMT2A
SCHEMBL2053134 0.88 PIK3C3 (0.46) MAPK14PIK3C3
SCHEMBL2051404 0.85 AAK1 (0.39) MAPK14PIK3C3
SCHEMBL2050051 0.84 NPC1 (0.48) MAPK14KDM4ENPC1RAB9AMEN1
SCHEMBL1645214 0.81 MAPK14 (0.51) MAPK14NR3C2EGFR
SCHEMBL2050358 0.80 MAPK14 (0.38) MAPK14JAK2JAK1TYK2NPC1
SCHEMBL2053541 0.80 HSD17B1 (0.36) MAPK14MEN1KMT2AALDH1A1GRIN2B
SCHEMBL2051579 0.80 GRIN2B (0.34) ALDH1A1GRIN2BBRAF
SCHEMBL2050522 0.79 BRAF (0.39) MAPK14MEN1KMT2AALDH1A1GRIN2B
SCHEMBL2052753 0.78 GRIN2B (0.34) ALDH1A1GRIN2BBRAF

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 MAPK14 3753/4885JAK2 181/4885JAK1 40/4885

“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.