SCHEMBL22340211

SCHEMBL22340211

N[C@@H]1[C@H](O)[C@@H](CO)O[C@H]1n1cnc2c(NC(=O)c3ccccc3)ncnc21

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADORA3 P0DMS8 5/20 0.61
▸ POLB P06746 1/20 0.61
▸ LMNA P02545 2/20 0.60
▸ SLC29A1 Q99808 2/20 0.60
▸ TSHR P16473 2/20 0.60
▸ NFKB1 P19838 2/20 0.60
▸ THPO P40225 2/20 0.60
▸ ALDH1A1 P00352 1/20 0.60
▸ GLA P06280 1/20 0.60
▸ PMP22 Q01453 1/20 0.60
▸ SMN1; SMN2 Q16637 1/20 0.60
▸ NPC1 O15118 1/20 0.60
▸ NPY1R P25929 1/20 0.60
▸ HTT P42858 1/20 0.60
▸ NPY2R P49146 1/20 0.60
▸ RAB9A P51151 1/20 0.60
▸ RXFP1 Q9HBX9 1/20 0.60
▸ CYP1A2 P05177 1/20 0.60
▸ MAPK1 P28482 1/20 0.60
▸ CYP2C19 P33261 1/20 0.60

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
SCHEMBL19146527 0.93 ADORA3 (0.62) ADORA3LMNASLC29A1TSHRNFKB1
SCHEMBL313413 0.92 LMNA (0.72) ADORA3LMNASLC29A1TSHRNFKB1
SCHEMBL17889837 0.92 LMNA (0.72) ADORA3LMNASLC29A1TSHRNFKB1
SCHEMBL19485512 0.92 LMNA (0.72) ADORA3LMNASLC29A1TSHRNFKB1
SCHEMBL9945526 0.92 LMNA (0.72) ADORA3LMNASLC29A1TSHRNFKB1
SCHEMBL233209 0.92 LMNA (0.72) ADORA3LMNASLC29A1TSHRNFKB1
SCHEMBL17301042 0.92 LMNA (0.72) ADORA3LMNASLC29A1TSHRNFKB1
SCHEMBL21953578 0.92 LMNA (0.72) ADORA3LMNASLC29A1TSHRNFKB1
SCHEMBL6909853 0.92 LMNA (0.72) ADORA3LMNASLC29A1TSHRNFKB1
SCHEMBL29617913 0.92 LMNA (0.72) ADORA3LMNASLC29A1TSHRNFKB1

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 ADORA3 1317/4885POLB 32/4885LMNA 1999/4885
US-10953032-B2 Cyclic dinucleotides as anticancer agents DPYD, NTPCR, CD38 ADORA3 1317/4885POLB 32/4885LMNA 1999/4885

“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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