SCHEMBL7070026

SCHEMBL7070026

Nc1ncnc2c1ncn2[C@H]1CC[C@@H](COC(c2ccccc2)(c2ccccc2)c2ccccc2)O1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCHE P06276 1/20 0.53
ADORA1 P30542 4/20 0.52
TYMP P19971 4/20 0.48
PI4KA P42356 4/20 0.47
PI4K2B Q8TCG2 4/20 0.47
PI4K2A Q9BTU6 4/20 0.47
PI4KB Q9UBF8 4/20 0.47
TP53 P04637 1/20 0.47
CYP2C9 P11712 1/20 0.47
NFKB1 P19838 1/20 0.47
MAPK1 P28482 1/20 0.47
HSD17B10 Q99714 1/20 0.47
MEN1 O00255 1/20 0.47
ALDH1A1 P00352 1/20 0.47
APEX1 P27695 1/20 0.47
BLM P54132 1/20 0.47
KMT2A Q03164 1/20 0.47
ADCY1 Q08828 1/20 0.47
ADA P00813 1/20 0.45
ADORA2A P29274 4/20 0.44

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
SCHEMBL12067762 0.93 BCHE (0.49) BCHEADORA1TYMPPI4KAPI4K2B
SCHEMBL22458598 0.88 TYMP (0.63) BCHEADORA1TYMP
SCHEMBL15488823 0.88 TYMP (0.47) BCHEADORA1TYMPPI4KAPI4K2B
SCHEMBL10697042 0.83 BCHE (0.53) BCHEADORA1PI4KAPI4K2BPI4K2A
SCHEMBL31484190 0.82 ADORA1 (0.59) BCHEADORA1TYMPNT5EAHCY
SCHEMBL6276457 0.82 ADORA1 (0.54) BCHEADORA1TYMPNT5EAHCY
SCHEMBL10427715 0.82 BCHE (0.55) BCHEADORA1PI4KAPI4K2BPI4K2A
SCHEMBL22458596 0.82 TYMP (0.56) BCHEADORA1TYMP
SCHEMBL23641782 0.82 BCHE (0.42) BCHEADORA1TYMPPI4KAPI4K2B
SCHEMBL7065756 0.82 TYMP (0.71) ADORA1TYMPTP53ADORA2AADORA3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030204079-A1 Process for producing 2', 3'-diethy substituted nucleoside derivatives AJINOMOTO CO., INC (JP) 2003-10-30 US disclosed
US-6579976-B2 Producing compounds having sugar-moiety hydroxyl groups or halogen atoms reduced in nucleic acids by allowing O-thiocarbonyl derivatives or halogenated derivatives in the sugar-moiety react with hypophosphorous acids or salts AJINOMOTO CO., INC. (JP) 2003-06-17 US disclosed
US-20020045744-A1 PROCESS FOR PRODUCING NUCLEIC ACID DERIVATIVES AJINOMOTO CO., INC. (JP) 2002-04-18 US disclosed
JP-2000198796-A PRODUCTION OF NUCLEIC ACID DERIVATIVE AJINOMOTO CO INC 2000-07-18 JP disclosed
EP-0999218-A1 Process for producing nucleoside derivatives Ajinomoto Co., Inc. (JP) 2000-05-10 EP 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 (2 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-20030204079-A1 Process for producing 2', 3'-diethy substituted nucleoside derivatives RNGTT, DOHH, NT5C3B BCHE 2179/4885ADORA1 2863/4885TYMP 38/4885
US-20020045744-A1 PROCESS FOR PRODUCING NUCLEIC ACID DERIVATIVES RNGTT, OSGEP, PNP BCHE 2688/4885ADORA1 2231/4885TYMP 19/4885

“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.