SCHEMBL18176940

SCHEMBL18176940

CCCCCn1cnc2c(NCCNC(=O)OC(C)(C)C)ncnc21

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADORA2A P29274 5/20 0.48
▸ TMIGD3 P0DMS9 4/20 0.48
▸ ADORA1 P30542 4/20 0.48
▸ CCNB2 O95067 1/20 0.45
▸ CDK1 P06493 1/20 0.45
▸ CCNB1 P14635 1/20 0.45
▸ CCNB3 Q8WWL7 1/20 0.45
▸ PDE4A P27815 1/20 0.43
▸ PDE4B Q07343 1/20 0.43
▸ PDE4C Q08493 1/20 0.43
▸ PDE4D Q08499 1/20 0.43
▸ STK17B O94768 1/20 0.42
▸ STK17A Q9UEE5 1/20 0.42
▸ HDAC1 Q13547 2/20 0.41
▸ HDAC2 Q92769 2/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ ADORA2B P29275 1/20 0.41
▸ CTSL P07711 1/20 0.41
▸ CYP1A2 P05177 1/20 0.41
▸ TSHR P16473 1/20 0.41

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
SCHEMBL18176944 0.92 ADORA2A (0.43) ADORA2ATMIGD3ADORA1PDE4APDE4B
SCHEMBL18179481 0.89 TMIGD3 (0.41) ADORA2ATMIGD3ADORA1STK17BSTK17A
SCHEMBL18176935 0.89 TMIGD3 (0.41) ADORA2ATMIGD3ADORA1PDE4APDE4B
SCHEMBL30254310 0.86 PDE4A (0.40) ADORA2ATMIGD3ADORA1CCNB2CDK1
SCHEMBL18176939 0.85 TMIGD3 (0.44) ADORA2ATMIGD3ADORA1CCNB2CDK1
SCHEMBL25222870 0.85 CCNE2 (0.42) ADORA2ATMIGD3ADORA1STK17BSTK17A
SCHEMBL23885300 0.85 TMIGD3 (0.43) ADORA2ATMIGD3ADORA1STK17BSTK17A
SCHEMBL30052380 0.85 TMIGD3 (0.43) ADORA2ATMIGD3ADORA1STK17BSTK17A
SCHEMBL18176956 0.84 ADORA2A (0.49) ADORA2ATMIGD3ADORA1CCNB2CDK1
SCHEMBL22359200 0.79 ADCY5 (0.57) ADORA2AADORA1ALDH1A1ADORA2BDOT1L

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 ADORA2A 683/4885TMIGD3 4771/4885ADORA1 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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