SCHEMBL2049976

SCHEMBL2049976

Clc1cc(-c2c[nH]nc2-c2ccc(Cl)s2)ccn1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B1 P14061 2/20 0.39
HSD17B2 P37059 2/20 0.39
IDO1 P14902 2/20 0.38
CYP2A6 P11509 1/20 0.35
CCNC P24863 1/20 0.35
CDK8 P49336 1/20 0.35
PARP10 Q53GL7 1/20 0.34
PARP11 Q9NR21 1/20 0.34
RORB Q92753 3/20 0.33
RORC P51449 2/20 0.33
PDGFRB P09619 1/20 0.33
PDGFRA P16234 1/20 0.33
MEN1 O00255 1/20 0.33
ALDH1A1 P00352 1/20 0.33
MAPT P10636 1/20 0.33
KMT2A Q03164 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
CDC7 O00311 1/20 0.32
ROCK2 O75116 1/20 0.32
MAP4K4 O95819 1/20 0.32

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
SCHEMBL2052721 0.83 CYP2A6 (0.41) HSD17B1HSD17B2CYP2A6CCNCCDK8
SCHEMBL2053541 0.72 HSD17B1 (0.36) HSD17B1HSD17B2IDO1CYP2A6PARP10
SCHEMBL2051501 0.71 LMNA (0.53) HSD17B1HSD17B2MEN1ALDH1A1MAPT
SCHEMBL2877924 0.71 CYP2A6 (0.38) HSD17B1HSD17B2CYP2A6PDGFRBPDGFRA
SCHEMBL987463 0.69 ROS1 (0.44) IDO1CYP2A6PARP10PARP11RORB
SCHEMBL2050535 0.69 MAPK8 (0.46) PDGFRBMEN1ALDH1A1MAPTKMT2A
SCHEMBL2051449 0.69 AAK1 (0.35) HSD17B1HSD17B2RORBRORCMEN1
SCHEMBL2053612 0.69 GRIN2B (0.34) HSD17B1HSD17B2RORBRORCPDGFRB
SCHEMBL11627081 0.68 TP53 (0.40) CYP2A6PDGFRBPDGFRAMEN1ALDH1A1
SCHEMBL2050466 0.66 MAPK14 (0.33) CYP2A6GSK3BMAPK14

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 HSD17B1 1906/4885HSD17B2 2924/4885IDO1 129/4885

“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.