SCHEMBL67113

SCHEMBL67113

CC1(C)OC2[C@@H](CO)O[C@@H](n3cnc4c(NCCCCN)ncnc43)[C@H]2O1

nearest known ligand 0.68

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PI4KA P42356 1/20 0.68
PI4K2B Q8TCG2 1/20 0.68
PI4K2A Q9BTU6 1/20 0.68
PI4KB Q9UBF8 1/20 0.68
SLC29A1 Q99808 1/20 0.61
ADORA1 P30542 5/20 0.54
ADORA3 P0DMS8 3/20 0.54
ADORA2A P29274 3/20 0.54
LMNA P02545 1/20 0.51
MAPT P10636 1/20 0.51
NPSR1 Q6W5P4 1/20 0.51
CYP3A4 P08684 1/20 0.51
TSHR P16473 1/20 0.51
MAPK1 P28482 1/20 0.51

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
SCHEMBL91055 1.00 PI4KA (0.68) PI4KAPI4K2BPI4K2API4KBSLC29A1
SCHEMBL11232950 0.99 PI4KA (0.67) PI4KAPI4K2BPI4K2API4KBSLC29A1
SCHEMBL11157924 0.93 PI4KA (0.71) PI4KAPI4K2BPI4K2API4KBSLC29A1
SCHEMBL14191356 0.86 PI4KA (0.72) PI4KAPI4K2BPI4K2API4KBSLC29A1
SCHEMBL14344861 0.86 PI4KA (0.54) PI4KAPI4K2BPI4K2API4KBSLC29A1
SCHEMBL13238338 0.86 ADORA3 (0.73) PI4KAPI4K2BPI4K2API4KBSLC29A1
SCHEMBL91057 0.85 PI4KA (0.58) PI4KAPI4K2BPI4K2API4KBSLC29A1
SCHEMBL19532440 0.84 PI4KA (0.68) PI4KAPI4K2BPI4K2API4KBSLC29A1
SCHEMBL5062524 0.84 ADORA3 (0.73) PI4KAPI4K2BPI4K2API4KBSLC29A1
SCHEMBL5675415 0.83 SLC29A1 (0.80) SLC29A1ADORA1ADORA3ADORA2ALMNA

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-8129106-B2 Sequence-specific detection of methylation in biomolecules Max-Planck-Geselischaft zur Forderung der Wissenschaften E.V. (DE) 2012-03-06 US disclosed
US-20110165564-A1 SEQUENCE-SPECIFIC DETECTION OF METHYLATION IN BIOMOLECULES MAX-PLANCK-Gesellschaft zur Förderung der Wissenschaften e.V. (DE) 2011-07-07 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-20110165564-A1 SEQUENCE-SPECIFIC DETECTION OF METHYLATION IN BIOMOLECULES DNMT1, MAT2B, AHCY PI4KA 4743/4885PI4K2B 4739/4885PI4K2A 4799/4885

“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.