SCHEMBL22340256

SCHEMBL22340256

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

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.39
▸ LMNA P02545 1/20 0.39
▸ ALB P02768 1/20 0.39
▸ MAPK1 P28482 1/20 0.39
▸ POLB P06746 1/20 0.35
▸ IMPDH2 P12268 7/20 0.35
▸ IMPDH1 P20839 2/20 0.35
▸ TAS1R3 Q7RTX0 2/20 0.33
▸ TAS1R1 Q7RTX1 2/20 0.33
▸ NT5E P21589 1/20 0.32
▸ P2RY2 P41231 1/20 0.32
▸ P2RY4 P51582 1/20 0.32
▸ P2RY6 Q15077 1/20 0.32

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
SCHEMBL20692011 0.87 ALDH1A1 (0.37) ALDH1A1LMNAALBMAPK1POLB
SCHEMBL20782639 0.84 ALDH1A1 (0.40) ALDH1A1LMNAALBMAPK1POLB
SCHEMBL22340207 0.84 POLB (0.41) POLBIMPDH2IMPDH1TAS1R3TAS1R1
SCHEMBL22340090 0.84 POLB (0.44) POLBTAS1R3TAS1R1P2RY2
SCHEMBL22340220 0.83 DTYMK (0.44) POLB
SCHEMBL24060672 0.83 ALDH1A1 (0.39) ALDH1A1LMNAALBMAPK1
SCHEMBL22340212 0.82 DTYMK (0.42) POLBTAS1R3TAS1R1P2RY2
SCHEMBL20692032 0.81 ALDH1A1 (0.38) ALDH1A1LMNAALBMAPK1IMPDH2
SCHEMBL22340218 0.78 IMPDH2 (0.44) POLBIMPDH2IMPDH1TAS1R3TAS1R1
SCHEMBL23679527 0.77 POLB (0.56) ALDH1A1LMNAALBMAPK1POLB

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 ALDH1A1 917/4885LMNA 1999/4885ALB 4882/4885
US-10953032-B2 Cyclic dinucleotides as anticancer agents DPYD, NTPCR, CD38 ALDH1A1 917/4885LMNA 1999/4885ALB 4882/4885

“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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