SCHEMBL68465

SCHEMBL68465

CC1(C)OC2[C@@H](CO)O[C@@H](n3cc(C#CCNC(=O)C(F)(F)F)c4c(N)ncnc43)[C@H]2O1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PI4KA P42356 1/20 0.51
PI4K2B Q8TCG2 1/20 0.51
PI4K2A Q9BTU6 1/20 0.51
PI4KB Q9UBF8 1/20 0.51
ADK P55263 5/20 0.45
DOT1L Q8TEK3 4/20 0.45
CA2 P00918 3/20 0.41
P2RX1 P51575 1/20 0.40
P2RX3 P56373 1/20 0.40
P2RX4 Q99571 1/20 0.40
RXFP1 Q9HBX9 1/20 0.39
NAE1 Q13564 3/20 0.38
UBA3 Q8TBC4 2/20 0.38
UBA1 P22314 1/20 0.38
SAE1 Q9UBE0 1/20 0.38
UBA2 Q9UBT2 1/20 0.38
NPC1 O15118 1/20 0.38
GALR3 O60755 1/20 0.38
S1PR4 O95977 1/20 0.38
ALDH1A1 P00352 1/20 0.38

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
SCHEMBL12374617 0.86 ADK (0.62) ADKDOT1LCA2NAE1UBA3
SCHEMBL10067433 0.85 PI4KA (0.54) PI4KAPI4K2BPI4K2API4KBADK
SCHEMBL10067435 0.83 PI4KA (0.51) PI4KAPI4K2BPI4K2API4KBADK
SCHEMBL67559 0.81 PI4KA (0.35) PI4KAPI4K2BPI4K2API4KBADK
SCHEMBL22327353 0.80 CA2 (0.49) ADKDOT1LCA2RXFP1HTT
SCHEMBL21912256 0.80 CA2 (0.49) ADKDOT1LCA2RXFP1HTT
SCHEMBL21585106 0.80 CA2 (0.49) ADKDOT1LCA2RXFP1HTT
SCHEMBL12047324 0.80 CA2 (0.49) ADKDOT1LCA2RXFP1HTT
SCHEMBL18297437 0.80 PI4KA (0.57) PI4KAPI4K2BPI4K2API4KBADK
SCHEMBL24146793 0.79 PI4KA (0.56) PI4KAPI4K2BPI4K2API4KB

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.