SCHEMBL14583682

SCHEMBL14583682

Cc1nc2c(ncn2[C@]2(C)O[C@H](CO)C(O)[C@@H]2O)c(=O)[nH]1

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 2/20 0.43
▸ PAX8 Q06710 1/20 0.40
▸ ADORA3 P0DMS8 1/20 0.35
▸ TK1 P04183 1/20 0.34
▸ IMPDH2 P12268 1/20 0.34
▸ IMPDH1 P20839 1/20 0.34
▸ PNP P00491 2/20 0.33
▸ POLA1 P09884 1/20 0.33
▸ USP2 O75604 1/20 0.33
▸ TSHR P16473 1/20 0.33
▸ EDNRA P25101 1/20 0.33
▸ HTR2A P28223 1/20 0.33
▸ RECQL P46063 1/20 0.33
▸ BLM P54132 1/20 0.33
▸ HBB P68871 1/20 0.33
▸ HSD17B10 Q99714 1/20 0.33
▸ HINT1 P49773 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
SCHEMBL14620703 0.88 ADORA3 (0.47) HPGDADORA3TK1PNPUSP2
SCHEMBL16258667 0.88 ADORA3 (0.47) HPGDADORA3TK1PNPUSP2
SCHEMBL13626438 0.88 ADORA3 (0.47) HPGDADORA3TK1PNPUSP2
SCHEMBL116166 0.88 ADORA3 (0.47) HPGDADORA3TK1PNPUSP2
SCHEMBL18537401 0.88 ADORA3 (0.47) HPGDADORA3TK1PNPUSP2
SCHEMBL18537395 0.88 ADORA3 (0.47) HPGDADORA3TK1PNPUSP2
Hydrochloric Acid SCHEMBL5972616 0.87 ADORA3 (0.46) HPGDADORA3TK1PNPUSP2
Water SCHEMBL28222138 0.87 ADORA3 (0.46) HPGDADORA3TK1PNPUSP2
SCHEMBL27523643 0.82 TK1 (0.47) HPGDADORA3TK1PNPUSP2
SCHEMBL30765431 0.82 ADORA3 (0.44) HPGDPAX8ADORA3

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-20070037773-A1 Methods and compositions for treating flaviviruses and pestiviruses IDENIX PHARMACEUTICALS LLC 2007-02-15 — — 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-20070037773-A1 Methods and compositions for treating flaviviruses and pestiviruses MTAP, PHOSPHO1, PNP HPGD 2320/4885PAX8 3667/4885ADORA3 1821/4885

“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.

Send feedback