SCHEMBL5836032

SCHEMBL5836032

COCCO[C@H]1[C@@H](O)[C@](C(=O)c2ccccc2)(n2cnc3c(N)ncnc32)O[C@@H]1CO

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
EGFR P00533 1/20 0.41
P2RX3 P56373 1/20 0.40
P2RX4 Q99571 1/20 0.40
P2RX2 Q9UBL9 1/20 0.40
ADORA2A P29274 3/20 0.40
ADORA3 P0DMS8 3/20 0.40
ADORA1 P30542 1/20 0.40
ENPP1 P22413 1/20 0.39
RNMT O43148 1/20 0.39
POLB P06746 1/20 0.38
PI4KA P42356 1/20 0.38
PI4K2B Q8TCG2 1/20 0.38
PI4K2A Q9BTU6 1/20 0.38
PI4KB Q9UBF8 1/20 0.38
GMPS P49915 1/20 0.38
SLC28A1 O00337 1/20 0.38
DPP4 P27487 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
SCHEMBL441536 0.85 EGFR (0.47) EGFRADORA2AADORA3ADORA1POLB
SCHEMBL31644935 0.85 EGFR (0.47) EGFRADORA2AADORA3ADORA1POLB
SCHEMBL30406718 0.84 EGFR (0.42) EGFRADORA2AADORA3ADORA1POLB
SCHEMBL9501856 0.83 EGFR (0.43) EGFRADORA2AADORA3ADORA1POLB
SCHEMBL4451633 0.82 ADORA3 (0.43) EGFRADORA2AADORA3ADORA1POLB
SCHEMBL30041710 0.82 DOT1L (0.45) EGFRADORA2AADORA3ADORA1ENPP1
SCHEMBL2205117 0.81 EGFR (0.44) EGFRADORA2AADORA3ADORA1POLB
SCHEMBL7156326 0.80 EGFR (0.42) EGFRADORA2AADORA3ADORA1POLB
SCHEMBL337874 0.80 ADORA3 (0.45) ADORA2AADORA3ADORA1POLBPI4KA
SCHEMBL7154997 0.79 EGFR (0.41) EGFRADORA2AADORA3ADORA1POLB

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-7119184-B2 Oligonucleotides having A-DNA form and B-DNA form conformational geometry ISIS PHARMACEUTICALS, INC. (US) 2006-10-10 US disclosed
US-20030096979-A1 Oligonucleotides having A-DNA form and B-DNA form conformational geometry ISIS PHARMACEUTICALS, INC. 2003-05-22 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-20030096979-A1 Oligonucleotides having A-DNA form and B-DNA form conformational geometry RNGTT, RNASEH1, ADAR EGFR 4374/4885P2RX3 3142/4885P2RX4 2354/4885

“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.