SCHEMBL16375319

SCHEMBL16375319

COc1ccc(C(Nc2nc3c(ncn3[C@@H]3O[C@@](CO)(CN=[N+]=[N-])[C@@H](O)[C@H]3F)c(=O)[nH]2)(c2ccccc2)c2ccccc2)cc1

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ TYMP P19971 3/20 0.41
▸ HPGD P15428 1/20 0.36
▸ TAS1R3 Q7RTX0 1/20 0.34
▸ TAS1R1 Q7RTX1 1/20 0.34
▸ NT5E P21589 1/20 0.34
▸ IMPDH2 P12268 2/20 0.33
▸ IMPDH1 P20839 1/20 0.33
▸ TAAR1 Q96RJ0 1/20 0.32
▸ ADORA3 P0DMS8 1/20 0.32
▸ ADORA2A P29274 1/20 0.32
▸ ADORA1 P30542 1/20 0.32
▸ HINT1 P49773 1/20 0.31

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
SCHEMBL18198302 0.94 TYMP (0.39) TYMPHPGDTAS1R3TAS1R1NT5E
SCHEMBL25400771 0.90 TYMP (0.42) TYMPHPGDTAS1R3TAS1R1NT5E
SCHEMBL15070634 0.90 TYMP (0.42) TYMPHPGDTAS1R3TAS1R1NT5E
SCHEMBL16375320 0.90 TYMP (0.38) TYMPHPGDTAS1R3TAS1R1NT5E
SCHEMBL15070715 0.89 TYMP (0.42) TYMPHPGDTAS1R3TAS1R1NT5E
SCHEMBL25400745 0.89 TYMP (0.42) TYMPHPGDTAS1R3TAS1R1NT5E
SCHEMBL25399990 0.87 TYMP (0.47) TYMPHPGDTAS1R3TAS1R1NT5E
SCHEMBL26268385 0.87 TYMP (0.42) TYMPHPGDTAS1R3TAS1R1NT5E
SCHEMBL15070550 0.87 TYMP (0.42) TYMPHPGDTAS1R3TAS1R1NT5E
SCHEMBL15070716 0.86 TYMP (0.43) TYMPHPGDTAS1R3TAS1R1NT5E

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-20150005251-A1 SUBSTITUTED NUCLEOSIDES, NUCLEOTIDES AND ANALOGS THEREOF JANSSEN PHARMACEUTICA NV 2015-01-01 — — 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-20150005251-A1 SUBSTITUTED NUCLEOSIDES, NUCLEOTIDES AND ANALOGS THEREOF PNP, NT5C3B, NT5C2 TYMP 13/4885HPGD 1338/4885TAS1R3 2391/4885

“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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