SCHEMBL18179481

SCHEMBL18179481

CN(C)CCCCn1cnc2c(NCCNC(=O)OC(C)(C)C)ncnc21

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ TMIGD3 P0DMS9 4/20 0.41
▸ ADORA2A P29274 4/20 0.41
▸ ADORA1 P30542 4/20 0.41
▸ STK17B O94768 1/20 0.40
▸ STK17A Q9UEE5 1/20 0.40
▸ DOT1L Q8TEK3 1/20 0.39
▸ P2RY1 P47900 1/20 0.38
▸ BRD4 O60885 1/20 0.38
▸ HDAC1 Q13547 1/20 0.38
▸ HDAC2 Q92769 1/20 0.38
▸ ADCY5 O95622 4/20 0.37
▸ HTT P42858 1/20 0.37
▸ ADORA2B P29275 1/20 0.37
▸ RAB9A P51151 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ CKS1B P61024 1/20 0.36
▸ SKP1 P63208 1/20 0.36
▸ SKP2 Q13309 1/20 0.36

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
SCHEMBL18176940 0.89 ADORA2A (0.48) TMIGD3ADORA2AADORA1STK17BSTK17A
SCHEMBL18176944 0.89 ADORA2A (0.43) TMIGD3ADORA2AADORA1STK17BSTK17A
SCHEMBL18176935 0.87 TMIGD3 (0.41) TMIGD3ADORA2AADORA1STK17BSTK17A
SCHEMBL18176939 0.83 TMIGD3 (0.44) TMIGD3ADORA2AADORA1BRD4HDAC1
SCHEMBL25222870 0.82 CCNE2 (0.42) TMIGD3ADORA2AADORA1STK17BSTK17A
SCHEMBL30052380 0.82 TMIGD3 (0.43) TMIGD3ADORA2AADORA1STK17BSTK17A
SCHEMBL23885300 0.82 TMIGD3 (0.43) TMIGD3ADORA2AADORA1STK17BSTK17A
SCHEMBL18179484 0.78 ADORA2A (0.49) TMIGD3ADORA2AADORA1ADCY5HTT
SCHEMBL30254310 0.78 PDE4A (0.40) TMIGD3ADORA2AADORA1STK17BSTK17A
SCHEMBL22359200 0.77 ADCY5 (0.57) ADORA2AADORA1DOT1LADCY5ADORA2B

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160311845-A1 NUCLEOTIDE DERIVATIVE OR SALT THEREOF, NUCLEOTIDE-DERIVED 5'-PHOSPHATE ESTER OR SALT THEREOF, NUCLEOTIDE-DERIVED 3'-PHOSPHORAMIDITE COMPOUND OR SALT THEREOF, AND POLYNUCLEOTIDE NATIONAL UNIVERSITY CORPORATION GUNMA UNIVERSITY (JP) 2016-10-27 — — 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-20160311845-A1 NUCLEOTIDE DERIVATIVE OR SALT THEREOF, NUCLEOTIDE-DERIVED 5'-PHOSPHATE ESTER OR SALT THEREOF, NUCLEOTIDE-DERIVED 3'-PHOSPHORAMIDITE COMPOUND OR SALT THEREOF, AND POLYNUCLEOTIDE NT5C3B, PNP, NUDT1 TMIGD3 4771/4885ADORA2A 683/4885ADORA1 160/4885

“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.

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