SCHEMBL5428318

SCHEMBL5428318

CC1CC1COc1cccc(O)c1-c1cc(C2CCCN(C(=O)OC(C)(C)C)C2)nc(N)n1

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALOX5AP P20292 4/20 0.41
FEN1 P39748 4/20 0.41
PRMT5 O14744 2/20 0.41
SMARCA2 P51531 1/20 0.39
SMARCA4 P51532 1/20 0.39
PBRM1 Q86U86 1/20 0.39
TRPV3 Q8NET8 1/20 0.39
HPGDS O60760 1/20 0.38
SCN9A Q15858 1/20 0.38
IKBKB O14920 6/20 0.37
PARP1 P09874 1/20 0.37
MAP3K12 Q12852 1/20 0.37
HTR6 P50406 1/20 0.37

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
SCHEMBL5432419 0.90 IKBKB (0.44) ALOX5APFEN1PRMT5SMARCA2SMARCA4
SCHEMBL5425664 0.88 SMARCA2 (0.44) ALOX5APFEN1PRMT5SMARCA2SMARCA4
SCHEMBL5424220 0.88 PRMT5 (0.51) ALOX5APFEN1PRMT5HPGDSIKBKB
SCHEMBL5427548 0.88 PRMT5 (0.41) ALOX5APFEN1PRMT5SMARCA2SMARCA4
SCHEMBL5441000 0.86 TRPV3 (0.42) ALOX5APFEN1PRMT5SMARCA2SMARCA4
SCHEMBL5424154 0.86 PRMT5 (0.48) ALOX5APFEN1PRMT5SMARCA2SMARCA4
SCHEMBL5429334 0.85 USP30 (0.41) ALOX5APFEN1PRMT5SMARCA2SMARCA4
SCHEMBL5422694 0.84 PRMT5 (0.42) ALOX5APFEN1PRMT5SMARCA2SMARCA4
SCHEMBL5437874 0.83 KDM4E (0.40) ALOX5APFEN1PRMT5SMARCA2SMARCA4
SCHEMBL5427341 0.81 SMARCA2 (0.40) ALOX5APFEN1PRMT5SMARCA2SMARCA4

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-20070265289-A1 2-Aminopyrimidine Derivative ASTELLAS PHARMA INC. (JP) 2007-11-15 US disclosed
EP-1736472-A1 2-AMINOPYRIDINE DERIVATIVE Astellas Pharma Inc. (JP) 2006-12-27 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-20070265289-A1 2-Aminopyrimidine Derivative NFKBIA, IKBKG, NFKB2 ALOX5AP 751/4885FEN1 1849/4885PRMT5 324/4885

“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.