SCHEMBL3284887

SCHEMBL3284887

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CSNK2A2 P19784 1/20 0.41
CSNK2B P67870 1/20 0.41
CSNK2A1 P68400 1/20 0.41
ALDH3A1 P30838 2/20 0.40
ALDH1A3 P47895 2/20 0.40
ALDH1A1 P00352 1/20 0.40
CRHR1 P34998 9/20 0.33
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
CASP1 P29466 1/20 0.32
BRCA1 P38398 1/20 0.32
CASP7 P55210 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
HSD17B10 Q99714 1/20 0.32
KDM4E B2RXH2 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP2D6 P10635 1/20 0.31
CYP2C9 P11712 1/20 0.31
HPGD P15428 1/20 0.31
RAB9A P51151 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
SCHEMBL13459218 0.83 ALDH3A1 (0.40) CSNK2A2CSNK2BCSNK2A1ALDH3A1ALDH1A3
SCHEMBL13459549 0.80 AR (0.37) CSNK2A2CSNK2BCSNK2A1CRHR1
SCHEMBL3288733 0.74 HTR1A (0.44) CRHR1RAB9A
SCHEMBL13459221 0.72 CSNK2A2 (0.37) CSNK2A2CSNK2BCSNK2A1ALDH1A1CRHR1
SCHEMBL13459535 0.71 POLB (0.40) CSNK2A2CSNK2BCSNK2A1ALDH1A1CRHR1
SCHEMBL2085120 0.71 CSNK2A2 (0.42) CSNK2A2CSNK2BCSNK2A1ALDH1A1CRHR1
SCHEMBL3285073 0.68 CRHR1 (0.42) ALDH3A1ALDH1A3ALDH1A1CRHR1
SCHEMBL13459223 0.67 CRHR1 (0.38) CSNK2A2CSNK2BCSNK2A1ALDH3A1ALDH1A3
SCHEMBL13459581 0.66 POLB (0.36) CSNK2A2CSNK2BCSNK2A1ALDH1A1CRHR1
SCHEMBL3285011 0.65 TSHR (0.43) MEN1KMT2ASMN1; SMN2CYP1A2RAB9A

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-7714009-B2 Nitrogen-containing fused heterocyclic compounds TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-05-11 US disclosed
US-20070135452-A1 Nitrogen-containing fused heterocyclic compounds TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-06-14 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-20070135452-A1 Nitrogen-containing fused heterocyclic compounds NPY4R, NR4A3, NR3C2 CSNK2A2 460/4885CSNK2B 433/4885CSNK2A1 435/4885

“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.