SCHEMBL24499895

SCHEMBL24499895

CC1CC[C@H](n2cnc3c(N)ncnc32)O1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PI4KA P42356 4/20 0.61
▸ PI4K2B Q8TCG2 4/20 0.61
▸ PI4K2A Q9BTU6 4/20 0.61
▸ PI4KB Q9UBF8 4/20 0.61
▸ NFKB1 P19838 2/20 0.61
▸ BLM P54132 2/20 0.61
▸ TP53 P04637 1/20 0.61
▸ CYP2C9 P11712 1/20 0.61
▸ MAPK1 P28482 1/20 0.61
▸ HSD17B10 Q99714 1/20 0.61
▸ MEN1 O00255 1/20 0.61
▸ ALDH1A1 P00352 1/20 0.61
▸ APEX1 P27695 1/20 0.61
▸ KMT2A Q03164 1/20 0.61
▸ ADCY1 Q08828 1/20 0.61
▸ ADORA2A P29274 4/20 0.60
▸ ADORA3 P0DMS8 2/20 0.57
▸ ADORA1 P30542 2/20 0.57
▸ ADORA2B P29275 1/20 0.57
▸ ADA P00813 1/20 0.55

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
SCHEMBL8175179 1.00 PI4KA (0.61) PI4KAPI4K2BPI4K2API4KBNFKB1
SCHEMBL20794210 1.00 PI4KA (0.61) PI4KAPI4K2BPI4K2API4KBNFKB1
SCHEMBL7151977 1.00 PI4KA (0.61) PI4KAPI4K2BPI4K2API4KBNFKB1
SCHEMBL12832016 1.00 PI4KA (0.61) PI4KAPI4K2BPI4K2API4KBNFKB1
SCHEMBL13690449 0.83 PI4KA (0.61) PI4KAPI4K2BPI4K2API4KBNFKB1
SCHEMBL22820040 0.83 CYP2C19 (0.42) PI4KAPI4K2BPI4K2API4KBNFKB1
SCHEMBL13939562 0.83 PI4KA (0.57) PI4KAPI4K2BPI4K2API4KBNFKB1
SCHEMBL7162148 0.83 PI4KA (0.57) PI4KAPI4K2BPI4K2API4KBNFKB1
SCHEMBL19242531 0.81 ADORA3 (0.42) PI4KAPI4K2BPI4K2API4KBNFKB1
SCHEMBL19941993 0.81 PI4KA (0.59) PI4KAPI4K2BPI4K2API4KBNFKB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220177883-A1 Antisense Oligonucleotides Targeting ATXN3 HOFFMANN-LA ROCHE INC. 2022-06-09 — — 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 (1 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-20220177883-A1 Antisense Oligonucleotides Targeting ATXN3 ATXN2, ATXN2L, ATXN10 PI4KA 4281/4885PI4K2B 4037/4885PI4K2A 4028/4885

“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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