SCHEMBL67110

SCHEMBL67110

CC[C@H]1O[C@@H](Cn2cc(C#CCNC(=O)C(F)(F)F)c3c(N)ncnc32)[C@@H](O)C1O

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ADK P55263 5/20 0.42
CA2 P00918 4/20 0.38
NAE1 Q13564 3/20 0.37
UBA3 Q8TBC4 2/20 0.37
UBA1 P22314 1/20 0.37
SAE1 Q9UBE0 1/20 0.37
UBA2 Q9UBT2 1/20 0.37
DOT1L Q8TEK3 3/20 0.37
MARS1 P56192 2/20 0.36
ATG7 O95352 3/20 0.36
HSPA8 P11142 1/20 0.35
RET P07949 1/20 0.34
PRMT5 O14744 1/20 0.34
PRMT3 O60678 1/20 0.34
DNMT1 P26358 1/20 0.34
EHMT2 Q96KQ7 1/20 0.34

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
SCHEMBL67559 0.88 PI4KA (0.35) ADKCA2NAE1UBA3UBA1
SCHEMBL22327392 0.84 FLT3 (0.39) CA2RET
SCHEMBL12450063 0.84 ADK (0.48) ADKCA2NAE1UBA3UBA1
SCHEMBL12374617 0.80 ADK (0.62) ADKCA2NAE1UBA3UBA1
SCHEMBL20810613 0.78 RET (0.37) RET
SCHEMBL22327073 0.78 RET (0.37) CA2RET
SCHEMBL24970475 0.76 RET (0.44) RET
SCHEMBL22326849 0.75 RET (0.45) RET
SCHEMBL21912256 0.75 CA2 (0.49) ADKCA2DOT1LATG7PRMT5
SCHEMBL12047324 0.75 CA2 (0.49) ADKCA2DOT1LATG7PRMT5

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 ADK 291/4885CA2 4184/4885NAE1 2344/4885

“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.