SCHEMBL16377134

SCHEMBL16377134

CCOc1nc(N)nc2c1ncn2[C@@H]1O[C@H](CO[PH](=O)Oc2ccccc2)[C@@H](O)[C@@]1(C)Cl

nearest known ligand 0.43

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ NT5E P21589 5/20 0.36
▸ HINT1 P49773 2/20 0.36
▸ ADORA2A P29274 3/20 0.36
▸ SLC29A1 Q99808 2/20 0.35
▸ ADORA3 P0DMS8 2/20 0.35
▸ ADORA2B P29275 2/20 0.34
▸ MGMT P16455 1/20 0.34
▸ ADORA1 P30542 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
SCHEMBL19863222 0.87 ADORA2A (0.40) NT5EHINT1ADORA2AADORA3ADORA2B
SCHEMBL16368444 0.87 ADORA2A (0.40) NT5EHINT1ADORA2AADORA3ADORA2B
SCHEMBL20058892 0.87 ADORA3 (0.40) NT5EHINT1ADORA2ASLC29A1ADORA3
SCHEMBL17378466 0.84 HINT1 (0.45) NT5EHINT1ADORA3
SCHEMBL25713475 0.81 HINT1 (0.43) NT5EHINT1ADORA2ASLC29A1ADORA3
SCHEMBL16481020 0.80 ADORA2A (0.53) ADORA2ASLC29A1ADORA3ADORA2BADORA1
SCHEMBL25723814 0.80 HINT1 (0.42) NT5EHINT1ADORA2ASLC29A1ADORA3
SCHEMBL18877202 0.80 ADORA2A (0.33) NT5EHINT1ADORA2ASLC29A1ADORA3
SCHEMBL16480806 0.80 ADORA2A (0.34) NT5EHINT1ADORA2ASLC29A1ADORA3
SCHEMBL25721826 0.79 ALDH1A1 (0.41) NT5EHINT1ADORA2ASLC29A1ADORA3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170143751-A1 SUBSTITUTED NUCLEOSIDES, NUCLEOTIDES AND ANALOGS THEREOF Janssen Pharmaceuticals, Inc. 2017-05-25 — — US disclosed
US-9603863-B2 Substituted nucleosides, nucleotides and analogs thereof ALIOS BIOPHARMA, INC. (US) 2017-03-28 — — US disclosed
US-20150366887-A1 SUBSTITUTED NUCLEOSIDES, NUCLEOTIDES AND ANALOGS THEREOF Janssen Pharmaceuticals, Inc. 2015-12-24 — — US disclosed
US-20150011497-A1 SUBSTITUTED NUCLEOSIDES, NUCLEOTIDES AND ANALOGS THEREOF Janssen Pharmaceuticals, Inc. 2015-01-08 — — 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 (3 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-20170143751-A1 SUBSTITUTED NUCLEOSIDES, NUCLEOTIDES AND ANALOGS THEREOF PNP, NUDT1, NT5C3B NT5E 9/4885HINT1 137/4885ADORA2A 71/4885
US-20150366887-A1 SUBSTITUTED NUCLEOSIDES, NUCLEOTIDES AND ANALOGS THEREOF PNP, NUDT1, NT5C3B NT5E 9/4885HINT1 137/4885ADORA2A 71/4885
US-20150011497-A1 SUBSTITUTED NUCLEOSIDES, NUCLEOTIDES AND ANALOGS THEREOF PNP, NUDT1, NT5C3B NT5E 6/4885HINT1 77/4885ADORA2A 47/4885

“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.

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