SCHEMBL6473284

SCHEMBL6473284

Nc1nc(Cl)c2ncn(C3CCCC3)c2n1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 4/20 0.54
PI4KA P42356 3/20 0.54
PI4K2B Q8TCG2 3/20 0.54
PI4K2A Q9BTU6 3/20 0.54
PI4KB Q9UBF8 3/20 0.54
ADORA3 P0DMS8 2/20 0.54
ADORA1 P30542 2/20 0.54
CYP1A2 P05177 2/20 0.51
TSHR P16473 1/20 0.51
ADORA2B P29275 1/20 0.50
CYP3A4 P08684 1/20 0.48
NFKB1 P19838 1/20 0.48
THPO P40225 1/20 0.48
BLM P54132 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
GRIA1 P42261 1/20 0.45
GRIA2 P42262 1/20 0.45
GRIA3 P42263 1/20 0.45
GRIA4 P48058 1/20 0.45

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
Sulfuric Acid SCHEMBL9424258 0.93 CYP1A2 (0.55) ADORA2API4KAPI4K2BPI4K2API4KB
SCHEMBL9021758 0.85 ADORA2A (0.43) ADORA2API4KAPI4K2BPI4K2API4KB
SCHEMBL9021976 0.85 ADORA2A (0.43) ADORA2API4KAPI4K2BPI4K2API4KB
SCHEMBL9021750 0.85 ADORA2A (0.43) ADORA2API4KAPI4K2BPI4K2API4KB
SCHEMBL9011476 0.85 NT5E (0.42) ADORA2AADORA3ADORA1CYP1A2TSHR
SCHEMBL786455 0.84 ADORA2A (0.49) ADORA2API4KAPI4K2BPI4K2API4KB
SCHEMBL17352601 0.84 ADORA2A (0.65) ADORA2API4KAPI4K2BPI4K2API4KB
SCHEMBL30332114 0.84 ADORA2A (0.49) ADORA2API4KAPI4K2BPI4K2API4KB
SCHEMBL786016 0.83 ADORA2A (0.50) ADORA2API4KAPI4K2BPI4K2API4KB
SCHEMBL2954550 0.83 ADORA2A (0.66) ADORA2API4KAPI4K2BPI4K2API4KB

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-11986480-B2 Heterocyclic compound TOHOKU UNIVERSITY (JP) 2024-05-21 US disclosed
US-20200163970-A1 HETEROCYCLIC COMPOUND TOHOKU UNIVERSITY (JP) 2020-05-28 US disclosed
EP-1535923-A1 Synthesis of acyclic nucleoside derivatives Medivir Aktiebolag (SE) 2005-06-01 EP disclosed
EP-1131323-A1 SYNTHESIS OF ACYCLIC NUCLEOSIDE DERIVATIVES Medivir Aktiebolag (SE) 2001-09-12 EP disclosed
WO-2000008025-A1 SYNTHESIS OF ACYCLIC NUCLEOSIDE DERIVATIVES MEDIVIR AB (SE) 2000-02-17 WO 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-20200163970-A1 HETEROCYCLIC COMPOUND SQSTM1, BECN1, ATG7 ADORA2A 4202/4885PI4KA 578/4885PI4K2B 527/4885
US-11986480-B2 Heterocyclic compound SQSTM1, BECN1, ATG7 ADORA2A 4202/4885PI4KA 578/4885PI4K2B 527/4885

“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.