SCHEMBL21263875

SCHEMBL21263875

OC[C@H]1O[C@@H](n2cnc3c2ncn2ccnc32)C[C@@H]1F

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ TAS1R3 Q7RTX0 1/20 0.48
▸ TAS1R1 Q7RTX1 1/20 0.48
▸ HIF1A Q16665 1/20 0.46
▸ P2RX3 P56373 1/20 0.45
▸ P2RX2 Q9UBL9 1/20 0.45
▸ PNP P00491 1/20 0.43
▸ LMNA P02545 1/20 0.43
▸ TP53 P04637 1/20 0.43
▸ HTT P42858 1/20 0.43
▸ PDE4D Q08499 1/20 0.43
▸ PDE3A Q14432 1/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ RXFP1 Q9HBX9 1/20 0.43

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
SCHEMBL14628598 0.87 HIF1A (0.60) HIF1APNPLMNATP53HTT
SCHEMBL21423035 0.87 HIF1A (0.60) HIF1APNPLMNATP53HTT
SCHEMBL13058825 0.87 HIF1A (0.60) HIF1APNPLMNATP53HTT
SCHEMBL19666769 0.87 HIF1A (0.60) HIF1APNPLMNATP53HTT
SCHEMBL20908479 0.83 TAS1R3 (0.48) TAS1R3TAS1R1P2RX3P2RX2
SCHEMBL5198998 0.79 HIF1A (0.56) HIF1A
SCHEMBL5199003 0.79 HIF1A (0.56) HIF1A
SCHEMBL20908480 0.79 ALDH1A1 (0.58) TAS1R3TAS1R1P2RX3P2RX2LMNA
SCHEMBL21263874 0.78 TAS1R3 (0.60) TAS1R3TAS1R1HIF1AP2RX3P2RX2
SCHEMBL20908769 0.78 TAS1R3 (0.58) TAS1R3TAS1R1HIF1AP2RX3P2RX2

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-10519187-B2 Cyclic dinucleotides as anticancer agents BRISTOL-MYERS SQUIBB COMPANY (US) 2019-12-31 — — US disclosed
US-20190248828-A1 CYCLIC DINUCLEOTIDES AS ANTICANCER AGENTS BRISTOL-MYERS SQUIBB COMPANY 2019-08-15 — — 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-10519187-B2 Cyclic dinucleotides as anticancer agents DPYD, NTPCR, CD38 TAS1R3 4686/4885TAS1R1 4753/4885HIF1A 2264/4885
US-20190248828-A1 CYCLIC DINUCLEOTIDES AS ANTICANCER AGENTS DPYD, NTPCR, CD38 TAS1R3 4686/4885TAS1R1 4753/4885HIF1A 2264/4885

“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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