SCHEMBL4815870

SCHEMBL4815870

Nc1ncnc2ncn(CCO)c12

nearest known ligand 0.71

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 8/20 0.71
ADORA1 P30542 4/20 0.57
EGFR P00533 1/20 0.48
SRC P12931 1/20 0.48
KDR P35968 1/20 0.48
TEK Q02763 1/20 0.48
PIK3CD O00329 2/20 0.40
ADORA2B P29275 3/20 0.40
LMNA P02545 1/20 0.40
ADCY1 Q08828 1/20 0.39
TSHR P16473 1/20 0.39
AHCY P23526 4/20 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
SCHEMBL1665301 0.86 ADORA2A (0.69) ADORA2AADORA1EGFRSRCKDR
SCHEMBL1665392 0.80 ADORA2A (0.71) ADORA2AADORA1EGFRSRCKDR
SCHEMBL6690627 0.80 ADORA2A (0.56) ADORA2AADORA1EGFRSRCKDR
SCHEMBL5801729 0.79 ADORA2A (1.00) ADORA2AADORA1EGFRSRCKDR
Hydrochloric Acid SCHEMBL9778392 0.76 ADORA2A (0.75) ADORA2AADORA1KDRADORA2B
Hydrochloric Acid SCHEMBL9778348 0.76 ADORA2A (0.75) ADORA2AADORA1KDRADORA2B
Bromide SCHEMBL9778439 0.76 ADORA2A (0.75) ADORA2AADORA1KDRADORA2B
Hydrochloric Acid SCHEMBL9778422 0.76 ADORA2A (0.75) ADORA2AADORA1KDRADORA2B
Hydrochloric Acid SCHEMBL9778362 0.76 ADORA2A (0.75) ADORA2AADORA1KDRADORA2B
SCHEMBL9778803 0.75 ADORA2A (0.63) ADORA2AADORA1EGFRSRCKDR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7371857-B2 Synthesis for hydroxyalkylated heterocyclic bases VALEANT RESEARCH & DEVELOPMENT (US) 2008-05-13 US disclosed
US-7371857-B2 Synthesis for hydroxyalkylated heterocyclic bases VALEANT RESEARCH & DEVELOPMENT (US) 2008-05-13 US disclosed
US-7371857-B2 Synthesis for hydroxyalkylated heterocyclic bases VALEANT RESEARCH & DEVELOPMENT (US) 2008-05-13 US disclosed
US-20060135768-A1 Synthesis for hydroxyalkylated heterocyclic bases RIBAPHARM INC. (US) 2006-06-22 US disclosed
US-6825348-B2 Antiviral compounds ACADEMIA SINICA (TW) 2004-11-30 US disclosed
WO-2004014912-A1 IMPROVED SYNTHESIS FOR HYDROXYALKYLATED HETEROCYCLIC BASES RIBAPHARM INC. (US) 2004-02-19 WO disclosed
US-20040002475-A1 Dna genome ACADEMIA SINICA (TW) 2004-01-01 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 (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-20040002475-A1 Dna genome DNA2, OGG1, UNG ADORA2A 122/4885ADORA1 77/4885EGFR 2221/4885
US-20060135768-A1 Synthesis for hydroxyalkylated heterocyclic bases TERT, HRAS, DHPS ADORA2A 4293/4885ADORA1 4545/4885EGFR 1185/4885

“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.