SCHEMBL2084897

SCHEMBL2084897

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

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.36
CRHR1 P34998 1/20 0.35
PGR P06401 2/20 0.34
CSNK2A2 P19784 1/20 0.33
CSNK2B P67870 1/20 0.33
CSNK2A1 P68400 1/20 0.33
KMT2A Q03164 4/20 0.33
MEN1 O00255 2/20 0.33
GAA P10253 2/20 0.32
KDM4E B2RXH2 3/20 0.32
ALDH1A1 P00352 2/20 0.32
HPGD P15428 2/20 0.31
LMNA P02545 1/20 0.31
MAPK1 P28482 1/20 0.31
NSD2 O96028 1/20 0.31
NSD3 Q9BZ95 1/20 0.31
DRD1 P21728 1/20 0.31
UPP1 Q16831 1/20 0.30

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
SCHEMBL2085441 0.80 CSNK2A2 (0.37) CRHR1CSNK2A2CSNK2BCSNK2A1LMNA
SCHEMBL2084414 0.79 CRHR1 (0.40) CRHR1CSNK2A2CSNK2BCSNK2A1KMT2A
SCHEMBL2085120 0.79 CSNK2A2 (0.42) L3MBTL1CRHR1CSNK2A2CSNK2BCSNK2A1
SCHEMBL2085651 0.77 DAO (0.38) CRHR1CSNK2A2CSNK2BCSNK2A1
SCHEMBL3215105 0.77 DAO (0.44) L3MBTL1CRHR1CSNK2A2CSNK2BCSNK2A1
SCHEMBL2085633 0.76 CSNK2A2 (0.33) CSNK2A2CSNK2BCSNK2A1KDM4EALDH1A1
SCHEMBL2082774 0.73 KDM4E (0.38) L3MBTL1CRHR1KMT2AGAAKDM4E
SCHEMBL2086603 0.71 ADORA2A (0.38) CRHR1CSNK2A2CSNK2BCSNK2A1GAA
SCHEMBL4640091 0.70 CSNK2A2 (0.33) CSNK2A2CSNK2BCSNK2A1KDM4EALDH1A1
SCHEMBL2084761 0.70 ADORA3 (0.42) PGRKMT2AMEN1LMNA

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 2 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

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 L3MBTL1 2835/4885CRHR1 2/4885PGR 189/4885

“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.