SCHEMBL2049844

SCHEMBL2049844

CCn1nccc1-c1cccs1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 8/20 0.46
ALDH1A1 P00352 8/20 0.46
HPGD P15428 6/20 0.46
GAA P10253 2/20 0.46
GLA P06280 1/20 0.46
ADORA1 P30542 2/20 0.43
MAPT P10636 4/20 0.41
HTT P42858 3/20 0.41
RCE1 Q9Y256 1/20 0.41
PIM1 P11309 2/20 0.40
PIM3 Q86V86 1/20 0.40
PLK3 Q9H4B4 1/20 0.40
PIM2 Q9P1W9 1/20 0.40
MEN1 O00255 5/20 0.39
KMT2A Q03164 5/20 0.39
HSD17B10 Q99714 4/20 0.39
TSHR P16473 4/20 0.39
NPC1 O15118 3/20 0.39
RAB9A P51151 3/20 0.39
SMN1; SMN2 Q16637 3/20 0.39

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
SCHEMBL2049847 0.87 KDM4E (0.44) KDM4EALDH1A1HPGDGAAGLA
SCHEMBL10475743 0.77 KDM4E (0.50) KDM4EALDH1A1HPGDGAAGLA
SCHEMBL2050987 0.74 HPGD (0.43) KDM4EALDH1A1HPGDGAAGLA
SCHEMBL2050668 0.73 GRIN2B (0.38) ALDH1A1HPGDMAPTMEN1KMT2A
SCHEMBL2053669 0.73 CCNK (0.38) ALDH1A1HPGDMAPTHTTMEN1
SCHEMBL5649590 0.73 HPGD (0.50) KDM4EALDH1A1HPGDGAAGLA
SCHEMBL2049849 0.72 ALDH1A1 (0.46) KDM4EALDH1A1HPGDGAAGLA
SCHEMBL17066883 0.71 ALK (0.50) KDM4EALDH1A1HPGDMAPTMEN1
SCHEMBL21858853 0.70 MEN1 (0.39) ALDH1A1HPGDADORA1MAPTMEN1
SCHEMBL12681304 0.70 CCNK (0.43) ALDH1A1HPGDADORA1MAPTHTT

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 KDM4E 2907/4885ALDH1A1 1184/4885HPGD 3111/4885

“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.