SCHEMBL16644431

SCHEMBL16644431

C#C[C@@]1(O)C(F)[C@@](F)(CO)O[C@H]1n1cnc2c(=O)[nH]c(N)nc21

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ ADORA3 P0DMS8 1/20 0.46
▸ TK1 P04183 2/20 0.40
▸ STING1 Q86WV6 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
▸ HPGD P15428 1/20 0.38

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
SCHEMBL16374041 1.00 ADORA3 (0.46) ADORA3TK1STING1USP2PNP
SCHEMBL16368147 1.00 ADORA3 (0.46) ADORA3TK1STING1USP2PNP
SCHEMBL25580754 0.93 ADORA3 (0.43) ADORA3TK1STING1USP2PNP
SCHEMBL15833211 0.91 ADORA3 (0.48) ADORA3TK1STING1USP2PNP
SCHEMBL15833130 0.91 ADORA3 (0.48) ADORA3TK1STING1USP2PNP
SCHEMBL16647452 0.90 ADORA3 (0.46) ADORA3TK1USP2PNPTSHR
SCHEMBL16639885 0.89 ADORA3 (0.35) ADORA3TK1HPGD
SCHEMBL16644443 0.86 ADORA3 (0.48) ADORA3TK1STING1USP2PNP
SCHEMBL16368345 0.84 POLG (0.49) STING1PNPHPRT1
SCHEMBL16374232 0.84 POLG (0.49) STING1PNPHPRT1

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-9815864-B2 Substituted nucleosides, nucleotides and analogs thereof ALIOS BIOPHARMA, INC. (US) 2017-11-14 — — US disclosed
US-20170143749-A1 SUBSTITUTED NUCLEOSIDES, NUCLEOTIDES AND ANALOGS THEREOF Janssen Biopharma, Inc. 2017-05-25 — — US disclosed
US-20150105341-A1 SUBSTITUTED NUCLEOSIDES, NUCLEOTIDES AND ANALOGS THEREOF Janssen Pharmaceuticals, Inc. 2015-04-16 — — 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-20170143749-A1 SUBSTITUTED NUCLEOSIDES, NUCLEOTIDES AND ANALOGS THEREOF PNP, NT5C3B, TYMP ADORA3 83/4885TK1 52/4885STING1 280/4885
US-20150105341-A1 SUBSTITUTED NUCLEOSIDES, NUCLEOTIDES AND ANALOGS THEREOF PNP, NT5C3B, NUDT1 ADORA3 73/4885TK1 93/4885STING1 272/4885

“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