SCHEMBL13986311

SCHEMBL13986311

C[C@H]1CC(n2cnc3c(N)ncnc32)O[C@@H]1C

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AHCY P23526 6/20 0.57
▸ PI4KA P42356 4/20 0.56
▸ PI4K2B Q8TCG2 4/20 0.56
▸ PI4K2A Q9BTU6 4/20 0.56
▸ PI4KB Q9UBF8 4/20 0.56
▸ TP53 P04637 1/20 0.56
▸ CYP2C9 P11712 1/20 0.56
▸ NFKB1 P19838 1/20 0.56
▸ MAPK1 P28482 1/20 0.56
▸ HSD17B10 Q99714 1/20 0.56
▸ MEN1 O00255 1/20 0.56
▸ ALDH1A1 P00352 1/20 0.56
▸ APEX1 P27695 1/20 0.56
▸ BLM P54132 1/20 0.56
▸ KMT2A Q03164 1/20 0.56
▸ ADCY1 Q08828 1/20 0.56
▸ ADORA2A P29274 4/20 0.55
▸ ADA P00813 1/20 0.54
▸ STING1 Q86WV6 1/20 0.54
▸ ADORA3 P0DMS8 2/20 0.52

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
SCHEMBL13986298 1.00 AHCY (0.57) AHCYPI4KAPI4K2BPI4K2API4KB
SCHEMBL20191893 0.88 PI4KA (0.55) AHCYPI4KAPI4K2BPI4K2API4KB
SCHEMBL29362124 0.87 AHCY (0.59) AHCYPI4KAPI4K2BPI4K2API4KB
SCHEMBL284737 0.87 AHCY (0.59) AHCYPI4KAPI4K2BPI4K2API4KB
SCHEMBL5962596 0.87 AHCY (0.59) AHCYPI4KAPI4K2BPI4K2API4KB
SCHEMBL23396436 0.87 AHCY (0.59) AHCYPI4KAPI4K2BPI4K2API4KB
SCHEMBL896624 0.87 AHCY (0.59) AHCYPI4KAPI4K2BPI4K2API4KB
SCHEMBL5962598 0.87 AHCY (0.59) AHCYPI4KAPI4K2BPI4K2API4KB
SCHEMBL20794222 0.87 AHCY (0.59) AHCYPI4KAPI4K2BPI4K2API4KB
SCHEMBL10015774 0.87 AHCY (0.59) AHCYPI4KAPI4K2BPI4K2API4KB

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-7465544-B2 Synthetic cofactor analogs of S-adenosylmethionine as ligatable probes of biological methylation and methods for their use WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2008-12-16 — — US disclosed
US-20070161007-A1 Synthetic cofactor analogs of S-adenosylmethionine as ligatable probes of biological methylation and methods for their use WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2007-07-12 — — 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-20070161007-A1 Synthetic cofactor analogs of S-adenosylmethionine as ligatable probes of biological methylation and methods for their use DNMT1, MAT2A, MAT1A AHCY 6/4885PI4KA 2765/4885PI4K2B 3089/4885

“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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