SCHEMBL22174629

SCHEMBL22174629

NCCCCCCNP(=O)(O)OP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O

nearest known ligand 0.77

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ P2RY1 P47900 6/20 0.77
▸ P2RY2 P41231 2/20 0.77
▸ P2RX1 P51575 2/20 0.77
▸ P2RX3 P56373 2/20 0.77
▸ ALDH1A1 P00352 2/20 0.77
▸ SRC P12931 1/20 0.77
▸ P2RX4 Q99571 1/20 0.77
▸ P2RX2 Q9UBL9 1/20 0.77
▸ SMN1; SMN2 Q16637 1/20 0.77
▸ MACROD2 A1Z1Q3 1/20 0.72
▸ SIRT6 Q8N6T7 1/20 0.72
▸ MACROD1 Q9BQ69 1/20 0.72
▸ TRPM2 O94759 1/20 0.72
▸ TAS1R3 Q7RTX0 1/20 0.67
▸ TAS1R1 Q7RTX1 1/20 0.67
▸ RNASEL Q05823 1/20 0.66

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
SCHEMBL22184403 0.93 P2RY1 (0.75) P2RY1P2RY2P2RX1P2RX3ALDH1A1
SCHEMBL22169968 0.92 P2RY1 (0.64) P2RY1P2RY2P2RX1P2RX3ALDH1A1
SCHEMBL29391899 0.90 P2RY1 (0.71) P2RY1P2RY2P2RX1P2RX3ALDH1A1
SCHEMBL29521316 0.90 P2RY1 (0.80) P2RY1P2RY2P2RX1P2RX3ALDH1A1
SCHEMBL2167873 0.89 P2RY1 (0.84) P2RY1P2RY2P2RX1P2RX3ALDH1A1
SCHEMBL12450414 0.88 P2RY1 (0.72) P2RY1P2RY2P2RX1P2RX3ALDH1A1
SCHEMBL2167816 0.88 P2RY1 (0.86) P2RY1P2RY2P2RX1P2RX3ALDH1A1
Diadenosine Tetraphosphate SCHEMBL14205963 0.88 P2RY1 (1.00) P2RY1P2RY2P2RX1P2RX3ALDH1A1
SCHEMBL6516963 0.88 P2RY1 (1.00) P2RY1P2RY2P2RX1P2RX3ALDH1A1
SCHEMBL1744586 0.88 P2RY1 (1.00) P2RY1P2RY2P2RX1P2RX3ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210147474-A1 METHODS OF PREPARING SAMPLES FOR MULTIPLEX POLYPEPTIDE SEQUENCING Quantum-Si Incorporated (US) 2021-05-20 — — US disclosed
US-20210139973-A1 METHODS OF SINGLE-CELL POLYPEPTIDE SEQUENCING Quantum-Si Incorporated (US) 2021-05-13 — — US disclosed
US-20200219590-A1 METHODS AND COMPOSITIONS FOR PROTEIN SEQUENCING Quantum-Si Incorporated (US) 2020-07-09 — — US disclosed
US-20200209249-A1 METHODS AND COMPOSITIONS FOR PROTEIN SEQUENCING Quantum-Si Incorporated (US) 2020-07-02 — — US disclosed
US-20200209257-A1 METHODS AND COMPOSITIONS FOR PROTEIN SEQUENCING Quantum-Si Incorporated (US) 2020-07-02 — — 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-20210147474-A1 METHODS OF PREPARING SAMPLES FOR MULTIPLEX POLYPEPTIDE SEQUENCING IAPP, PSAP, VIP P2RY1 2811/4885P2RY2 3216/4885P2RX1 2222/4885
US-20200209257-A1 METHODS AND COMPOSITIONS FOR PROTEIN SEQUENCING CRYAA, CRYAB, CACYBP P2RY1 3677/4885P2RY2 3779/4885P2RX1 3289/4885

“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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