SCHEMBL1778210

SCHEMBL1778210

COc1ccc(-c2c(C#N)c(N)[nH]c(=S)c2C#N)cc1OC

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 10/20 0.58
MAPT P10636 8/20 0.58
ALDH1A1 P00352 8/20 0.58
HSD17B10 Q99714 3/20 0.58
ALOX15 P16050 1/20 0.58
PRKCZ Q05513 1/20 0.49
MEN1 O00255 5/20 0.48
KMT2A Q03164 5/20 0.48
HPGD P15428 4/20 0.48
USP2 O75604 2/20 0.48
MAPK1 P28482 1/20 0.47
GAA P10253 4/20 0.45
GLA P06280 3/20 0.45
L3MBTL1 Q9Y468 3/20 0.45
GFER P55789 1/20 0.45
ADORA2A P29274 2/20 0.44
ADORA1 P30542 2/20 0.44
NPSR1 Q6W5P4 3/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
S1PR4 O95977 1/20 0.43

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
SCHEMBL12600477 0.85 ALDH1A1 (0.46) KDM4EMAPTALDH1A1HSD17B10PRKCZ
SCHEMBL16296036 0.85 KDM4E (0.56) KDM4EMAPTALDH1A1HSD17B10ALOX15
SCHEMBL2285856 0.84 MAPT (0.49) KDM4EMAPTALDH1A1HSD17B10ALOX15
SCHEMBL16294694 0.76 MAPT (0.66) KDM4EMAPTALDH1A1HSD17B10MEN1
SCHEMBL17747474 0.76 ALDH1A1 (0.56) KDM4EMAPTALDH1A1HSD17B10MEN1
SCHEMBL935141 0.74 ALDH1A1 (1.00) KDM4EMAPTALDH1A1HSD17B10ALOX15
SCHEMBL3064294 0.74 MAPT (0.67) KDM4EMAPTALDH1A1HSD17B10ALOX15
SCHEMBL12377460 0.72 MAPT (0.51) KDM4EMAPTALDH1A1HSD17B10ALOX15
SCHEMBL13914287 0.71 KDM4E (0.63) KDM4EMAPTALDH1A1HSD17B10PRKCZ
SCHEMBL12377457 0.70 ALDH1A1 (0.43) KDM4EMAPTALDH1A1MEN1KMT2A

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
US-7943637-B2 Thienopyridine derivatives and the use thereof as HSP90 modulators MERCK PATENT GMBH (DE) 2011-05-17 US disclosed
US-20090054452-A1 Thienopyridine Derivatives and the Use Thereof as Hsp90 Modulators MERCK PATENT GMBH (DE) 2009-02-26 US disclosed
EP-1853609-A1 THIENOPYRIDINE DERIVATIVES AND USE THEREOF AS HSP90 MODULATORS Merck Patent GmbH (DE) 2007-11-14 EP disclosed
WO-2006092202-A1 THIENOPYRIDINE DERIVATIVES AND USE THEREOF AS HSP90 MODULATORS MERCK PATENT GMBH (DE) 2006-09-08 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-20090054452-A1 Thienopyridine Derivatives and the Use Thereof as Hsp90 Modulators HSP90AA1, HSP90AB1, HSP90AB2P KDM4E 3565/4885MAPT 1792/4885ALDH1A1 1033/4885

“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.