SCHEMBL3178906

SCHEMBL3178906

Nc1nc2c(ncn2[C@@H]2O[C@H](COP(=O)(O)O)[C@@H](OP(=O)(O)O)[C@H]2OP(=O)(O)O)c(=O)[nH]1

nearest known ligand 0.64

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
NT5E P21589 1/20 0.64
TAS1R3 Q7RTX0 2/20 0.62
TAS1R1 Q7RTX1 2/20 0.62
TGM2 P21980 1/20 0.59
IMPDH2 P12268 6/20 0.58
IMPDH1 P20839 2/20 0.58
POLB P06746 1/20 0.56
FUT5 Q11128 1/20 0.55
KRAS P01116 1/20 0.54

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
SCHEMBL17586739 0.93 NT5E (0.69) NT5ETAS1R3TAS1R1TGM2IMPDH2
SCHEMBL2315645 0.93 NT5E (0.69) NT5ETAS1R3TAS1R1TGM2IMPDH2
SCHEMBL2315499 0.93 NT5E (0.69) NT5ETAS1R3TAS1R1TGM2IMPDH2
SCHEMBL23176396 0.91 TAS1R3 (0.57) NT5ETAS1R3TAS1R1TGM2IMPDH2
SCHEMBL29258512 0.87 NT5E (0.69) NT5ETAS1R3TAS1R1TGM2IMPDH2
SCHEMBL2218829 0.87 HPGD (0.57) NT5ETAS1R3TAS1R1TGM2IMPDH2
SCHEMBL23149828 0.87 NT5E (0.55) NT5ETAS1R3TAS1R1TGM2IMPDH2
SCHEMBL888070 0.87 HPGD (0.57) NT5ETAS1R3TAS1R1TGM2IMPDH2
SCHEMBL17438077 0.87 HPGD (0.57) NT5ETAS1R3TAS1R1TGM2IMPDH2
E626 SCHEMBL20677331 0.87 NT5E (0.83) NT5ETAS1R3TAS1R1TGM2IMPDH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100009997-A1 METHOD OF TREATING A METABOLIC OR NEUROPSYCHIARTY DISORDER WITH A BH4 DERIVATIVE PRODRUG BIOMARIN PHARMACEUTICAL INC. (US) 2010-01-14 US claimed
EP-4605523-A1 OLIGONUCLEOTIDES AND METHODS FOR CAPTURING SINGLE-STRANDED TEMPLATES AND/OR TEMPLATES WITH 3' OVERHANGS Foundation Medicine, Inc. (US) 2025-08-27 EP disclosed
WO-2024137316-A1 OLIGONUCLEOTIDES AND METHODS FOR CAPTURING SINGLE-STRANDED TEMPLATES AND/OR TEMPLATES WITH 3' OVERHANGS FOUNDATION MEDICINE, INC. (US) 2024-06-27 WO 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-20100009997-A1 METHOD OF TREATING A METABOLIC OR NEUROPSYCHIARTY DISORDER WITH A BH4 DERIVATIVE PRODRUG PAH, HSD17B4, UGT1A4 NT5E 3440/4885TAS1R3 3075/4885TAS1R1 3202/4885

“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.