SCHEMBL13626438

SCHEMBL13626438

C[C@@]1(n2cnc3c(=O)[nH]c(N)nc32)O[C@H](CO)C(O)C1O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 1/20 0.47
PNP P00491 2/20 0.46
TK1 P04183 2/20 0.45
BLM P54132 2/20 0.44
USP2 O75604 1/20 0.44
TSHR P16473 1/20 0.44
EDNRA P25101 1/20 0.44
HTR2A P28223 1/20 0.44
RECQL P46063 1/20 0.44
HBB P68871 1/20 0.44
HSD17B10 Q99714 1/20 0.44
HPGD P15428 2/20 0.44
HINT1 P49773 1/20 0.44
CYP3A4 P08684 2/20 0.43
MEN1 O00255 1/20 0.43
ALDH1A1 P00352 1/20 0.43
LMNA P02545 1/20 0.43
NFKB1 P19838 1/20 0.43
VCP P55072 1/20 0.43
KMT2A Q03164 1/20 0.43

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
SCHEMBL116166 1.00 ADORA3 (0.47) ADORA3PNPTK1BLMUSP2
SCHEMBL16258667 1.00 ADORA3 (0.47) ADORA3PNPTK1BLMUSP2
SCHEMBL18537395 1.00 ADORA3 (0.47) ADORA3PNPTK1BLMUSP2
SCHEMBL18537401 1.00 ADORA3 (0.47) ADORA3PNPTK1BLMUSP2
SCHEMBL14620703 1.00 ADORA3 (0.47) ADORA3PNPTK1BLMUSP2
Hydrochloric Acid SCHEMBL5972616 0.99 ADORA3 (0.46) ADORA3PNPTK1BLMUSP2
Water SCHEMBL28222138 0.99 ADORA3 (0.46) ADORA3PNPTK1BLMUSP2
SCHEMBL27523643 0.93 TK1 (0.47) ADORA3PNPTK1BLMUSP2
SCHEMBL3779345 0.93 ADORA3 (0.46) ADORA3PNPTK1BLMUSP2
Triphosphate SCHEMBL28238456 0.92 PNP (0.49) ADORA3PNPHPGDNT5E

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-20090280086-A1 METHODS AND COMPOSITIONS FOR TREATING HEPATITIS C VIRUS IDENIX PHARMACEUTICALS LLC 2009-11-12 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-20090280086-A1 METHODS AND COMPOSITIONS FOR TREATING HEPATITIS C VIRUS HAVCR2, HCCS, PYGL ADORA3 482/4885PNP 13/4885TK1 143/4885

“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.