SCHEMBL22340218

SCHEMBL22340218

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

nearest known ligand 0.44

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ IMPDH2 P12268 6/20 0.44
▸ TAS1R3 Q7RTX0 2/20 0.42
▸ TAS1R1 Q7RTX1 2/20 0.42
▸ POLB P06746 1/20 0.42
▸ IMPDH1 P20839 2/20 0.42
▸ TK1 P04183 1/20 0.41
▸ P2RY1 P47900 1/20 0.41

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
SCHEMBL22340207 0.94 POLB (0.41) IMPDH2TAS1R3TAS1R1POLBIMPDH1
SCHEMBL22340317 0.85 RNASEL (0.47) TAS1R3TAS1R1POLBP2RY1
SCHEMBL22340083 0.81 POLB (0.45) TAS1R3TAS1R1POLBP2RY1
SCHEMBL21132941 0.78 POLB (0.67) IMPDH2TAS1R3TAS1R1POLBIMPDH1
SCHEMBL20324606 0.78 POLB (0.67) IMPDH2TAS1R3TAS1R1POLBIMPDH1
SCHEMBL9856344 0.78 POLB (0.67) IMPDH2TAS1R3TAS1R1POLBIMPDH1
SCHEMBL22340256 0.78 ALDH1A1 (0.39) IMPDH2TAS1R3TAS1R1POLBIMPDH1
SCHEMBL22340091 0.76 POLB (0.55) POLBP2RY1
SCHEMBL21132767 0.76 P2RX3 (0.56) IMPDH2TAS1R3TAS1R1POLBIMPDH1
SCHEMBL24060675 0.74 DTYMK (0.52) POLBP2RY1

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 IMPDH2 67/4885TAS1R3 4703/4885TAS1R1 4643/4885
US-10953032-B2 Cyclic dinucleotides as anticancer agents DPYD, NTPCR, CD38 IMPDH2 67/4885TAS1R3 4703/4885TAS1R1 4643/4885

“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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