SCHEMBL3147311

SCHEMBL3147311

CCOP(=O)(/C=C/C1(Cn2cnc3c(N)ncnc32)CC1)OCC

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 5/20 0.47
ADORA1 P30542 3/20 0.47
PI4KA P42356 2/20 0.47
PI4K2B Q8TCG2 2/20 0.47
PI4K2A Q9BTU6 2/20 0.47
PI4KB Q9UBF8 2/20 0.47
ADORA2B P29275 1/20 0.45
ENPP1 P22413 2/20 0.43
NT5E P21589 1/20 0.43
CYP3A4 P08684 4/20 0.43
SLC22A6 Q4U2R8 2/20 0.43
FGFR1 P11362 2/20 0.43
AHCY P23526 3/20 0.42
METTL3 Q86U44 1/20 0.41
METTL14 Q9HCE5 1/20 0.41
ABCB11 O95342 1/20 0.41
POLA1 P09884 1/20 0.41
POLG P54098 1/20 0.41
FAP Q12884 1/20 0.41
CYP2D6 P10635 3/20 0.40

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
SCHEMBL3147318 1.00 ADORA2A (0.47) ADORA2AADORA1PI4KAPI4K2BPI4K2A
SCHEMBL5942300 0.85 FAP (0.59) ADORA2AADORA1PI4KAPI4K2BPI4K2A
SCHEMBL2907926 0.84 FGFR1 (0.49) ADORA2AADORA1PI4KAPI4K2BPI4K2A
SCHEMBL2907915 0.84 FGFR1 (0.49) ADORA2AADORA1PI4KAPI4K2BPI4K2A
SCHEMBL2914493 0.82 HSP90AB1 (0.46)
SCHEMBL3142708 0.82 HSP90AB1 (0.46)
SCHEMBL9569496 0.77 ENPP1 (0.53) ADORA2AADORA1PI4KAPI4K2BPI4K2A
SCHEMBL9569474 0.77 ENPP1 (0.53) ADORA2AADORA1PI4KAPI4K2BPI4K2A
SCHEMBL27577009 0.76 ADORA2A (0.45) ADORA2AADORA1PI4KAPI4K2BPI4K2A
SCHEMBL3288039 0.76 ADORA2A (0.45) ADORA2AADORA1PI4KAPI4K2BPI4K2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7723319-B2 Acyclic nucleoside phosphonate derivatives, salts thereof and process for the preparation of the same LG LIFE SCIENCES LTD. (KR) 2010-05-25 US disclosed
US-7723319-B2 Acyclic nucleoside phosphonate derivatives, salts thereof and process for the preparation of the same LG LIFE SCIENCES LTD. (KR) 2010-05-25 US disclosed
US-7723319-B2 Acyclic nucleoside phosphonate derivatives, salts thereof and process for the preparation of the same LG LIFE SCIENCES LTD. (KR) 2010-05-25 US disclosed
US-20100004440-A1 Novel acyclic nucleoside phosphonate derivatives, salts thereof and process for the preparation of the same CHO DONG-GYU 2010-01-07 US disclosed
US-20100004440-A1 Novel acyclic nucleoside phosphonate derivatives, salts thereof and process for the preparation of the same CHO DONG-GYU 2010-01-07 US disclosed
US-20100004440-A1 Novel acyclic nucleoside phosphonate derivatives, salts thereof and process for the preparation of the same CHO DONG-GYU 2010-01-07 US disclosed
US-7605147-B2 Acyclic nucleoside phosphonate derivatives, salts thereof and process for the preparation of the same LG LIFE SCIENCES LTD. (KR) 2009-10-20 US disclosed
US-7605147-B2 Acyclic nucleoside phosphonate derivatives, salts thereof and process for the preparation of the same LG LIFE SCIENCES LTD. (KR) 2009-10-20 US disclosed
US-7605147-B2 Acyclic nucleoside phosphonate derivatives, salts thereof and process for the preparation of the same LG LIFE SCIENCES LTD. (KR) 2009-10-20 US disclosed
US-7157448-B2 Acyclic nucleoside phosphonate derivatives, salts thereof and process for the preparation of the same LG LIFE SCIENCES LTD. (KR) 2007-01-02 US disclosed
US-7157448-B2 Acyclic nucleoside phosphonate derivatives, salts thereof and process for the preparation of the same LG LIFE SCIENCES LTD. (KR) 2007-01-02 US disclosed
US-7157448-B2 Acyclic nucleoside phosphonate derivatives, salts thereof and process for the preparation of the same LG LIFE SCIENCES LTD. (KR) 2007-01-02 US disclosed
US-20060293284-A1 Novel acyclic nucleoside phosphonate derivatives, salts thereof and process for the preparation of the same CHO DONG-GYU 2006-12-28 US disclosed
US-20060052346-A1 Nucleoside phosphonate derivatives useful in the treatment of HIV infections LG LIFE SCIENCES LTD. (KR) 2006-03-09 US disclosed
US-20040063668-A1 Novel acyclic nucleoside phosphonate derivatives, salts thereof and process for the preparation of the same LG LIFE SCIENCES LTD. (KR) 2004-04-01 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 (4 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-20060052346-A1 Nucleoside phosphonate derivatives useful in the treatment of HIV infections PNP, TYMP, ENTPD5 ADORA2A 390/4885ADORA1 261/4885PI4KA 293/4885
US-20100004440-A1 Novel acyclic nucleoside phosphonate derivatives, salts thereof and process for the preparation of the same PNP, ITPA, MTAP ADORA2A 119/4885ADORA1 174/4885PI4KA 254/4885
US-20060293284-A1 Novel acyclic nucleoside phosphonate derivatives, salts thereof and process for the preparation of the same PNP, ITPA, MTAP ADORA2A 119/4885ADORA1 174/4885PI4KA 254/4885
US-20040063668-A1 Novel acyclic nucleoside phosphonate derivatives, salts thereof and process for the preparation of the same PNP, ITPA, MTAP ADORA2A 119/4885ADORA1 174/4885PI4KA 254/4885

“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.