SCHEMBL25001340

SCHEMBL25001340

CCCCC(CCCC)n1cnc2c(N)ccnc21

nearest known ligand 0.64

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ADA P00813 7/20 0.64
PDE4B Q07343 3/20 0.41
PDE2A O00408 3/20 0.41
CYP3A4 P08684 2/20 0.41
PDE4A P27815 1/20 0.41
PDE4C Q08493 1/20 0.41
PDE4D Q08499 1/20 0.41
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
CYP1A2 P05177 1/20 0.41
ALOX15 P16050 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
HSD17B10 Q99714 1/20 0.41
TSHR P16473 1/20 0.41
HIF1A Q16665 1/20 0.41
LMNA P02545 1/20 0.40
BLM P54132 1/20 0.40

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
SCHEMBL22381000 0.94 ADA (0.72) ADAPDE4BPDE2ACYP3A4PDE4A
SCHEMBL22759880 0.78 ADA (0.63) ADAPDE4BPDE2ACYP3A4PDE4A
SCHEMBL22326755 0.78 ADORA2A (0.61) ADAPDE4BPDE2ACYP3A4PDE4A
SCHEMBL800129 0.77 ADORA2A (0.57) ADAPDE4BPDE4APDE4CPDE4D
SCHEMBL24236859 0.75 ADA (0.54) ADAPDE4BSMN1; SMN2
SCHEMBL23619216 0.75 ADORA2A (0.61) ADAPDE4BALDH1A1CYP1A2TSHR
SCHEMBL21473256 0.74 ADA (0.69) ADAPDE4BPDE2ACYP3A4PDE4A
SCHEMBL26160596 0.74 ADA (0.48) ADAPDE4BPDE2ACYP3A4PDE4A
SCHEMBL23619425 0.73 ADA (0.42) ADAPDE4B
SCHEMBL24971291 0.73 ADA (0.71) ADAPDE4BPDE2ACYP3A4PDE4A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230040920-A1 COMPOSITIONS AND METHODS FOR SILENCING DNAJB1-PRKACA FUSION GENE EXPRESSION ALNYLAM PHARMACEUTICALS, INC. (US) 2023-02-09 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-20230040920-A1 COMPOSITIONS AND METHODS FOR SILENCING DNAJB1-PRKACA FUSION GENE EXPRESSION DNAJA1, DNAJA2, DNAJB11 ADA 1608/4885PDE4B 902/4885PDE2A 1725/4885

“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.