SCHEMBL3602206

SCHEMBL3602206

COc1ccc(C#N)c2sccc12

nearest known ligand 0.54

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
IMPDH2 P12268 1/20 0.54
IMPDH1 P20839 1/20 0.54
ALDH1A1 P00352 2/20 0.46
KDM4E B2RXH2 1/20 0.46
USP2 O75604 1/20 0.46
MAPT P10636 1/20 0.40
TSHR P16473 1/20 0.40
AR P10275 10/20 0.39
SRC P12931 1/20 0.38
MAOA P21397 2/20 0.36
MAOB P27338 2/20 0.36
PGR P06401 1/20 0.35

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
SCHEMBL4802256 0.86 IMPDH2 (0.54) IMPDH2IMPDH1ALDH1A1KDM4EUSP2
SCHEMBL19631236 0.79 NEK1 (0.37) IMPDH2IMPDH1ALDH1A1KDM4EMAPT
SCHEMBL3151189 0.79 MAPT (0.51) ALDH1A1MAPTTSHR
SCHEMBL22122277 0.75 CSNK2A2 (0.37) IMPDH2IMPDH1ALDH1A1AR
SCHEMBL13114314 0.74 TSHR (0.47) ALDH1A1KDM4EMAPTTSHR
SCHEMBL3606201 0.73 EPAS1 (0.34)
SCHEMBL15805518 0.73 IMPDH2 (0.64) IMPDH2IMPDH1ALDH1A1KDM4EUSP2
SCHEMBL4803585 0.73 MAPT (0.43) ALDH1A1MAPTTSHR
SCHEMBL3608839 0.73 MAPT (0.43) ALDH1A1KDM4EMAPTTSHR
SCHEMBL3606665 0.73 NEK1 (0.34) MAOAMAOB

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-1553074-B1 FUSED BENZENE DERIVATIVE AND USE TAKEDA PHARMACEUTICAL (JP) 2014-06-18 EP disclosed
US-7649001-B2 Fused benzene derivative and use TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-01-19 US disclosed
US-20060106067-A1 Fused benzene derivative and use TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2006-05-18 US disclosed
EP-1553074-A1 FUSED BENZENE DERIVATIVE AND USE Takeda Pharmaceutical Company Limited (JP) 2005-07-13 EP 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-20060106067-A1 Fused benzene derivative and use AR, NR5A1, CBR3 IMPDH2 4239/4885IMPDH1 4294/4885ALDH1A1 1763/4885

“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.