SCHEMBL22340207

SCHEMBL22340207

O=c1[nH]c2nccn2c2c1ncn2[C@H]1C[C@H](F)[C@@H](COP(=O)(O)S)O1

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 1/20 0.41
▸ IMPDH2 P12268 6/20 0.39
▸ TAS1R3 Q7RTX0 2/20 0.37
▸ TAS1R1 Q7RTX1 2/20 0.37
▸ IMPDH1 P20839 2/20 0.37
▸ P2RY2 P41231 1/20 0.37
▸ P2RY4 P51582 1/20 0.37
▸ P2RY6 Q15077 1/20 0.37
▸ P2RY1 P47900 1/20 0.36
▸ TK1 P04183 1/20 0.36
▸ P2RX3 P56373 1/20 0.35
▸ P2RX2 Q9UBL9 1/20 0.35

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
SCHEMBL22340218 0.94 IMPDH2 (0.44) POLBIMPDH2TAS1R3TAS1R1IMPDH1
SCHEMBL22340083 0.86 POLB (0.45) POLBTAS1R3TAS1R1P2RY2P2RY1
SCHEMBL22340256 0.84 ALDH1A1 (0.39) POLBIMPDH2TAS1R3TAS1R1IMPDH1
SCHEMBL22340317 0.80 RNASEL (0.47) POLBTAS1R3TAS1R1P2RY2P2RY1
SCHEMBL20325348 0.79 POLB (0.64) POLBIMPDH2TAS1R3TAS1R1P2RY2
SCHEMBL20325346 0.79 POLB (0.64) POLBIMPDH2TAS1R3TAS1R1P2RY2
SCHEMBL22340261 0.78 POLB (0.54) POLBTAS1R3TAS1R1P2RY2P2RY1
SCHEMBL22340271 0.77 POLB (0.53) POLBP2RY2P2RY4P2RY6P2RY1
SCHEMBL21393210 0.74 KDM4E (0.60) POLBIMPDH2TAS1R3TAS1R1IMPDH1
SCHEMBL24258604 0.73 POLB (0.41) POLBTAS1R3TAS1R1P2RY2P2RY1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10953032-B2 Cyclic dinucleotides as anticancer agents BRISTOL-MYERS SQUIBB COMPANY (US) 2021-03-23 — — US disclosed
US-20200253997-A1 CYCLIC DINUCLEOTIDES AS ANTICANCER AGENTS BRISTOL MYERS SQUIBB CO (US) 2020-08-13 — — 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-20200253997-A1 CYCLIC DINUCLEOTIDES AS ANTICANCER AGENTS DPYD, NTPCR, CD38 POLB 32/4885IMPDH2 67/4885TAS1R3 4703/4885
US-10953032-B2 Cyclic dinucleotides as anticancer agents DPYD, NTPCR, CD38 POLB 32/4885IMPDH2 67/4885TAS1R3 4703/4885

“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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