SCHEMBL2085441

SCHEMBL2085441

CCC(CC)c1ccc(C)c2[nH]c(=O)n(C)c12

nearest known ligand 0.37

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CSNK2A2 P19784 1/20 0.37
CSNK2B P67870 1/20 0.37
CSNK2A1 P68400 1/20 0.37
CRHR1 P34998 13/20 0.36
DAO P14920 2/20 0.33
RXFP1 Q9HBX9 1/20 0.32
LMNA P02545 1/20 0.31

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
SCHEMBL2084414 0.84 CRHR1 (0.40) CSNK2A2CSNK2BCSNK2A1CRHR1RXFP1
SCHEMBL2085120 0.84 CSNK2A2 (0.42) CSNK2A2CSNK2BCSNK2A1CRHR1RXFP1
SCHEMBL2085651 0.81 DAO (0.38) CSNK2A2CSNK2BCSNK2A1CRHR1DAO
SCHEMBL3215105 0.81 DAO (0.44) CSNK2A2CSNK2BCSNK2A1CRHR1DAO
SCHEMBL2084897 0.80 L3MBTL1 (0.36) CSNK2A2CSNK2BCSNK2A1CRHR1LMNA
SCHEMBL2085633 0.80 CSNK2A2 (0.33) CSNK2A2CSNK2BCSNK2A1
SCHEMBL2082774 0.77 KDM4E (0.38) CRHR1LMNA
SCHEMBL2086603 0.75 ADORA2A (0.38) CSNK2A2CSNK2BCSNK2A1CRHR1LMNA
SCHEMBL4640091 0.74 CSNK2A2 (0.33) CSNK2A2CSNK2BCSNK2A1
SCHEMBL2084761 0.74 ADORA3 (0.42) DAOLMNA

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8163935-B2 Fused heterocyclic compounds TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-04-24 US disclosed
US-20090312383-A1 Fused Heterocyclic Compounds TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-12-17 US disclosed
EP-1874736-A4 FUSED HETEROCYCLIC COMPOUNDS TAKEDA PHARMACEUTICAL (JP) 2008-08-20 EP disclosed
EP-1874736-A2 FUSED HETEROCYCLIC COMPOUNDS Takeda Pharmaceutical Company Limited (JP) 2008-01-09 EP disclosed
WO-2006116412-A2 FUSED HETEROCYCLIC COMPOUNDS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2006-11-02 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-20090312383-A1 Fused Heterocyclic Compounds NPY4R, CRHR1, CNR1 CSNK2A2 731/4885CSNK2B 596/4885CSNK2A1 732/4885

“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.