SCHEMBL18458037

SCHEMBL18458037

COc1nc(N)nc2c1ncn2[C@@H]1O[C@@H]2[C@H](OP(=O)(N[C@H](C)C(=O)OC(C)C)Oc3ccccc3)[C@]2(O)[C@@H]1O

nearest known ligand 0.44

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 2/20 0.39
▸ CYP2C9 P11712 2/20 0.39
▸ ADORA3 P0DMS8 3/20 0.35
▸ ADORA2A P29274 3/20 0.35
▸ ADORA2B P29275 3/20 0.35
▸ ADORA1 P30542 3/20 0.35
▸ BTN3A1 O00481 3/20 0.35
▸ HINT1 P49773 2/20 0.35
▸ NT5E P21589 2/20 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
SCHEMBL20402084 1.00 CYP3A4 (0.39) CYP3A4CYP2C9ADORA3ADORA2AADORA2B
SCHEMBL21136926 0.93 HINT1 (0.42) CYP3A4CYP2C9ADORA3ADORA2AADORA2B
SCHEMBL20402389 0.87 SERPINA3 (0.41) CYP3A4CYP2C9ADORA3ADORA2AADORA2B
SCHEMBL20820158 0.87 HINT1 (0.41) CYP3A4CYP2C9ADORA3ADORA2AADORA2B
SCHEMBL20820132 0.87 HINT1 (0.41) CYP3A4CYP2C9ADORA3ADORA2AADORA2B
SCHEMBL21136896 0.86 AHCY (0.46) ADORA3ADORA2B
SCHEMBL21136218 0.86 HINT1 (0.40) CYP3A4CYP2C9ADORA3ADORA2AADORA2B
SCHEMBL25720930 0.84 CYP3A4 (0.41) CYP3A4CYP2C9ADORA3ADORA2AADORA2B
SCHEMBL18512911 0.84 CYP3A4 (0.41) CYP3A4CYP2C9ADORA3ADORA2AADORA2B
SCHEMBL25713585 0.84 CYP3A4 (0.41) CYP3A4CYP2C9ADORA3ADORA2AADORA2B

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-20170029456-A1 NUCLEOTIDES FOR THE TREATMENT OF LIVER CANCER IDENIX PHARMACEUTICALS LLC (US) 2017-02-02 — — 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-20170029456-A1 NUCLEOTIDES FOR THE TREATMENT OF LIVER CANCER RNMT, NUDT1, NTPCR CYP3A4 3731/4885CYP2C9 4137/4885ADORA3 4/4885

“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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