SCHEMBL7535718

SCHEMBL7535718

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

nearest known ligand 0.58

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HINT1 P49773 4/20 0.58
NT5E P21589 1/20 0.58
STING1 Q86WV6 4/20 0.57
PDE3B Q13370 1/20 0.57
PDE3A Q14432 1/20 0.57
TAAR1 Q96RJ0 1/20 0.56
HPGD P15428 1/20 0.55
GSK3A P49840 2/20 0.55
RPS6KA3 P51812 2/20 0.55
MAPK14 Q16539 2/20 0.55
TGM2 P21980 1/20 0.54
PNP P00491 1/20 0.52
KRAS P01116 1/20 0.51

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
SCHEMBL2424287 0.92 HINT1 (0.55) HINT1NT5ESTING1PDE3BPDE3A
SCHEMBL7111072 0.92 HINT1 (0.55) HINT1NT5ESTING1PDE3BPDE3A
SCHEMBL800400 0.92 TAAR1 (0.58) HINT1NT5ESTING1PDE3BPDE3A
SCHEMBL23710670 0.92 TAAR1 (0.58) HINT1NT5ESTING1PDE3BPDE3A
SCHEMBL7541561 0.92 TAAR1 (0.56) HINT1NT5ESTING1PDE3BPDE3A
SCHEMBL23710671 0.92 TAAR1 (0.58) HINT1NT5ESTING1PDE3BPDE3A
SCHEMBL23200375 0.92 TAAR1 (0.58) HINT1NT5ESTING1PDE3BPDE3A
SCHEMBL23200376 0.92 TAAR1 (0.58) HINT1NT5ESTING1PDE3BPDE3A
SCHEMBL780400 0.92 TAAR1 (0.58) HINT1NT5ESTING1PDE3BPDE3A
SCHEMBL800874 0.92 TAAR1 (0.58) HINT1NT5ESTING1PDE3BPDE3A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20020177695-A1 Nucleic acid probes and methods DUKE UNIVERSITY 2002-11-28 US claimed
US-6288221-B1 REPLACING NUCLEOSIDE WITH DIMETHOXYTRITYL, PHOSPHORAMIDITE, OR HALONUCLEOSIDE DERIVATIVE; ELECTROCHEMICAL OR PHOTOCHEMICAL DETECTION OF NUCLEIC ACID SEQUENCES DUKE UNIVERSITY 2001-09-11 US claimed
CN-118239991-A Preparation process of high-purity 2-amino-6-chloropurine nucleoside 甘肃省化工研究院有限责任公司 2024-06-25 CN disclosed
US-20020177695-A1 Nucleic acid probes and methods DUKE UNIVERSITY 2002-11-28 US disclosed
US-6288221-B1 REPLACING NUCLEOSIDE WITH DIMETHOXYTRITYL, PHOSPHORAMIDITE, OR HALONUCLEOSIDE DERIVATIVE; ELECTROCHEMICAL OR PHOTOCHEMICAL DETECTION OF NUCLEIC ACID SEQUENCES DUKE UNIVERSITY 2001-09-11 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-20020177695-A1 Nucleic acid probes and methods NUDT1, NT5C3B, NT5C2 HINT1 96/4885NT5E 9/4885STING1 136/4885

“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.