SCHEMBL91049

SCHEMBL91049

CSOC[C@H]1O[C@@H](n2cc(CNC(=O)C(F)(F)F)c3c(N)ncnc32)C2OC(C)(C)OC21

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 1/20 0.43
PI4KA P42356 1/20 0.42
PI4K2B Q8TCG2 1/20 0.42
PI4K2A Q9BTU6 1/20 0.42
PI4KB Q9UBF8 1/20 0.42
P2RX3 P56373 3/20 0.42
P2RX1 P51575 2/20 0.42
P2RX4 Q99571 2/20 0.42
AMD1 P17707 2/20 0.37
ADK P55263 5/20 0.37
PRMT5 O14744 3/20 0.35
METTL3 Q86U44 2/20 0.35
ATG7 O95352 3/20 0.35

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
SCHEMBL10067434 0.91 RXFP1 (0.41) RXFP1PI4KAPI4K2BPI4K2API4KB
SCHEMBL10067433 0.89 PI4KA (0.54) RXFP1PI4KAPI4K2BPI4K2API4KB
SCHEMBL91051 0.87 ADK (0.51) ADKPRMT5METTL3ATG7
SCHEMBL10067435 0.80 PI4KA (0.51) RXFP1PI4KAPI4K2BPI4K2API4KB
SCHEMBL10067432 0.78 ADK (0.48) ADKPRMT5METTL3ATG7
SCHEMBL68465 0.75 PI4KA (0.51) RXFP1PI4KAPI4K2BPI4K2API4KB
SCHEMBL12405891 0.75 ADK (0.57) PI4KAPI4K2BPI4K2API4KBADK
SCHEMBL91058 0.75 RXFP1 (0.46) RXFP1PI4KAPI4K2BPI4K2API4KB
SCHEMBL31526096 0.70 PI4KA (0.49) RXFP1PI4KAPI4K2BPI4K2API4KB
SCHEMBL12522464 0.70 ADK (0.60) ADKPRMT5METTL3ATG7

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 RXFP1 4742/4885PI4KA 4743/4885PI4K2B 4739/4885

“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.