SCHEMBL24325936

SCHEMBL24325936

CCCCCCCC(CCCCCCC)n1cnc2c(=N)[nH]cnc21

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADA P00813 7/20 0.44
PDE2A O00408 3/20 0.44
CYP3A4 P08684 2/20 0.44
PDE4A P27815 1/20 0.44
PDE4B Q07343 1/20 0.44
PDE4C Q08493 1/20 0.44
PDE4D Q08499 1/20 0.44
KDM4E B2RXH2 1/20 0.44
ALDH1A1 P00352 1/20 0.44
CYP1A2 P05177 1/20 0.44
ALOX15 P16050 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
HSD17B10 Q99714 1/20 0.44
TSHR P16473 1/20 0.44
HIF1A Q16665 1/20 0.44
LMNA P02545 1/20 0.43
BLM P54132 1/20 0.43
CCNB2 O95067 1/20 0.36
CDK1 P06493 1/20 0.36
CCNB1 P14635 1/20 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
SCHEMBL22364035 0.84 HPRT1 (0.49) ADAPDE2ACYP3A4PDE4APDE4B
SCHEMBL20681481 0.84 HPRT1 (0.49) ADAPDE2ACYP3A4PDE4APDE4B
SCHEMBL18877201 0.84 HPRT1 (0.49) ADAPDE2ACYP3A4PDE4APDE4B
SCHEMBL21127784 0.80 HPRT1 (0.47) ADAPDE2ACYP3A4PDE4APDE4B
SCHEMBL22106688 0.76 ADA (0.71) ADAPDE2ACYP3A4PDE4APDE4B
SCHEMBL19503049 0.76 ADA (0.71) ADAPDE2ACYP3A4PDE4APDE4B
SCHEMBL20467837 0.76 ADA (0.71) ADAPDE2ACYP3A4PDE4APDE4B
SCHEMBL24971291 0.76 ADA (0.71) ADAPDE2ACYP3A4PDE4APDE4B
SCHEMBL21945758 0.76 ADA (0.71) ADAPDE2ACYP3A4PDE4APDE4B
SCHEMBL24453656 0.75 ADORA2A (0.51) ALDH1A1SMN1; SMN2CCNB2CDK1CCNB1

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-20220119426-A1 PRODRUGS OF PHOSPHONAMIDE NUCLEOTIDE ANALOGUES AND THEIR PHARMACEUTICAL USE GILEAD SCIENCES, INC. 2022-04-21 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-20220119426-A1 PRODRUGS OF PHOSPHONAMIDE NUCLEOTIDE ANALOGUES AND THEIR PHARMACEUTICAL USE PNP, TYMP, NME2 ADA 85/4885PDE2A 757/4885CYP3A4 918/4885

“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.