SCHEMBL21078631

SCHEMBL21078631

CCCCCCC(CC)c1cnc2c(N)ncnn12

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ADA P00813 5/20 0.38
PDE2A O00408 3/20 0.38
CYP3A4 P08684 2/20 0.38
PDE4A P27815 1/20 0.38
PDE4B Q07343 1/20 0.38
PDE4C Q08493 1/20 0.38
PDE4D Q08499 1/20 0.38
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
CYP1A2 P05177 1/20 0.38
ALOX15 P16050 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
HSD17B10 Q99714 1/20 0.38
TSHR P16473 1/20 0.38
HIF1A Q16665 1/20 0.38
TLR7 Q9NYK1 2/20 0.38
LMNA P02545 1/20 0.37
BLM P54132 1/20 0.37
KDR P35968 2/20 0.36

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
SCHEMBL21998567 0.95 TLR7 (0.35) ADAPDE2ACYP3A4PDE4APDE4B
SCHEMBL24235860 0.95 ADA (0.39) ADAPDE2ACYP3A4PDE4APDE4B
SCHEMBL24117695 0.91 TLR7 (0.36) ADAPDE2ACYP3A4PDE4APDE4B
SCHEMBL22349649 0.89 TLR7 (0.32) TLR7
SCHEMBL22107444 0.86 ADORA2A (0.35) TLR7
SCHEMBL24633433 0.84 TLR7 (0.33) TLR7
SCHEMBL25810040 0.82 ADORA2A (0.33)
SCHEMBL22797115 0.75 KDM6B (0.34) PDE4APDE4BPDE4CPDE4DALDH1A1
SCHEMBL24257995 0.72 ADA (0.38) ADAPDE2ACYP3A4PDE4APDE4B
SCHEMBL21758936 0.71 PI4KB (0.35) KDM4EALDH1A1CYP1A2HSD17B10TSHR

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-20220033406-A1 CYCLOPENTYL NUCLEOSIDE ANALOGS AS ANTI-VIRALS Janssen Pharmaceuticals, Inc. 2022-02-03 US disclosed
US-20190169221-A1 SUBSTITUTED NUCLEOSIDES, NUCLEOTIDES AND ANALOGS THEREOF Janssen Biopharma, Inc. 2019-06-06 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 (2 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-20220033406-A1 CYCLOPENTYL NUCLEOSIDE ANALOGS AS ANTI-VIRALS PNP, TYMP, HAVCR2 ADA 21/4885PDE2A 563/4885CYP3A4 477/4885
US-20190169221-A1 SUBSTITUTED NUCLEOSIDES, NUCLEOTIDES AND ANALOGS THEREOF PNP, NUDT1, NT5C3B ADA 18/4885PDE2A 991/4885CYP3A4 2326/4885

“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.