SCHEMBL21638902

SCHEMBL21638902

Nc1nc2c(c(=O)[nH]1)NCN2C[C@H](O)CP(=O)(O)O

nearest known ligand 0.65

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HPRT1 P00492 15/20 0.65
USP2 O75604 1/20 0.33
CASP7 P55210 1/20 0.33
HSD17B10 Q99714 1/20 0.33
NOS1 P29475 1/20 0.33
PAH P00439 1/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
GLA P06280 1/20 0.33
MAPT P10636 1/20 0.33
HPGD P15428 1/20 0.33
BLM P54132 1/20 0.33
PMP22 Q01453 1/20 0.33
KMT2A Q03164 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
TDP1 Q9NUW8 1/20 0.33

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
SCHEMBL21638909 1.00 HPRT1 (0.65) HPRT1USP2CASP7HSD17B10NOS1
SCHEMBL9172629 0.86 HPRT1 (0.69) HPRT1
SCHEMBL7142937 0.85 HPRT1 (0.64) HPRT1USP2CASP7HSD17B10NOS1
SCHEMBL20509480 0.84 HPRT1 (0.62) HPRT1USP2CASP7HSD17B10NOS1
SCHEMBL10919055 0.83 HPRT1 (0.58) HPRT1USP2CASP7HSD17B10NOS1
SCHEMBL9685371 0.82 HPRT1 (0.54) HPRT1USP2CASP7HSD17B10NOS1
SCHEMBL9569709 0.81 HPRT1 (0.59) HPRT1USP2CASP7HSD17B10NOS1
SCHEMBL4713155 0.80 HPRT1 (0.76) HPRT1
SCHEMBL10919076 0.79 HPRT1 (0.62) HPRT1USP2CASP7HSD17B10NOS1
Phosphoric Acid SCHEMBL15054256 0.79 HPRT1 (0.74) HPRT1

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-20200101091-A1 ACYLNUCLEOSIDE PHOSPHONATES, PRODRUGS THEREOF AND USE THEREOF AS MEDICAMENT ECOLE NATIONALE SUPERIEURE DE CHIMIE DE MONTPELLIER (FR) 2020-04-02 US disclosed
EP-3601302-A1 ACYLNUCLEOSIDE PHOSPHONATES, PRODRUGS THEREOF AND USE THEREOF AS MEDICAMENT Université de Montpellier (FR) 2020-02-05 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-20200101091-A1 ACYLNUCLEOSIDE PHOSPHONATES, PRODRUGS THEREOF AND USE THEREOF AS MEDICAMENT PNP, TYMP, PPA1 HPRT1 23/4885USP2 4507/4885CASP7 1375/4885

“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.