SCHEMBL15837491

SCHEMBL15837491

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

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ ADORA3 P0DMS8 1/20 0.46
▸ TK1 P04183 2/20 0.40
▸ HPGD P15428 1/20 0.40
▸ HINT1 P49773 1/20 0.40
▸ USP2 O75604 1/20 0.39
▸ PNP P00491 1/20 0.39
▸ TSHR P16473 1/20 0.39
▸ EDNRA P25101 1/20 0.39
▸ HTR2A P28223 1/20 0.39
▸ RECQL P46063 1/20 0.39
▸ BLM P54132 1/20 0.39
▸ HBB P68871 1/20 0.39
▸ HSD17B10 Q99714 1/20 0.39
▸ HPRT1 P00492 2/20 0.39

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
SCHEMBL16647452 0.90 ADORA3 (0.46) ADORA3TK1HPGDHINT1USP2
SCHEMBL16647418 0.90 ADORA3 (0.46) ADORA3TK1HPGDHINT1USP2
SCHEMBL16374044 0.90 ADORA3 (0.49) ADORA3TK1HINT1USP2PNP
SCHEMBL15833027 0.90 ADORA3 (0.49) ADORA3TK1HINT1USP2PNP
SCHEMBL25524860 0.87 ADORA3 (0.49) ADORA3TK1HPGDHINT1USP2
SCHEMBL20833351 0.84 POLG (0.48) PNPHPRT1
SCHEMBL15833211 0.83 ADORA3 (0.48) ADORA3TK1HINT1USP2PNP
SCHEMBL16644431 0.83 ADORA3 (0.46) ADORA3TK1HPGDUSP2PNP
SCHEMBL16374041 0.83 ADORA3 (0.46) ADORA3TK1HPGDUSP2PNP
SCHEMBL15833130 0.83 ADORA3 (0.48) ADORA3TK1HINT1USP2PNP

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-20160039858-A1 SUBSTITUTED NUCLEOSIDES, NUCLEOTIDES AND ANALOGS THEREOF ALIOS BIOPHARMA, INC. 2016-02-11 — — US disclosed
US-9243022-B2 Substituted nucleosides, nucleotides and analogs thereof ALIOS BIOPHARMA, INC. (US) 2016-01-26 — — US disclosed
US-20140179627-A1 SUBSTITUTED NUCLEOSIDES, NUCLEOTIDES AND ANALOGS THEREOF ALIOS BIOPHARMA, INC. (US) 2014-06-26 — — 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 (2 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-20140179627-A1 SUBSTITUTED NUCLEOSIDES, NUCLEOTIDES AND ANALOGS THEREOF PNP, NUDT1, NT5C2 ADORA3 97/4885TK1 50/4885HPGD 619/4885
US-20160039858-A1 SUBSTITUTED NUCLEOSIDES, NUCLEOTIDES AND ANALOGS THEREOF PNP, NUDT1, NT5C2 ADORA3 97/4885TK1 50/4885HPGD 619/4885

“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