SCHEMBL6902241

SCHEMBL6902241

Nc1ncnc2c1ncn2[C@@H]1O[C@H](CSc2ccc(C(F)(F)F)cc2)[C@@H](O)[C@H]1O

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AHCY P23526 7/20 0.68
NADK O95544 1/20 0.68
DOT1L Q8TEK3 3/20 0.64
GNMT Q14749 1/20 0.64
PNMT P11086 1/20 0.62
DNMT1 P26358 1/20 0.62
DNMT3B Q9UBC3 1/20 0.62
DPP4 P27487 1/20 0.61
MEN1 O00255 1/20 0.61
SLC28A1 O00337 1/20 0.61
MAP3K7 O43318 1/20 0.61
SLC28A2 O43868 1/20 0.61
GAPDH P04406 1/20 0.61
ADORA3 P0DMS8 1/20 0.61
MAPK1 P28482 1/20 0.61
ADORA2A P29274 1/20 0.61
ADORA2B P29275 1/20 0.61
ADORA1 P30542 1/20 0.61
STAT6 P42226 1/20 0.61
PI4KA P42356 1/20 0.61

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
SCHEMBL6901241 0.89 GNMT (0.73) AHCYNADKDOT1LGNMTPNMT
SCHEMBL6905431 0.88 AHCY (0.73) AHCYNADKDOT1LGNMTPNMT
SCHEMBL6908433 0.87 AHCY (0.72) AHCYNADKDOT1LGNMTPNMT
SCHEMBL6907846 0.85 AHCY (0.68) AHCYNADKDOT1LGNMTPNMT
SCHEMBL28017953 0.83 AHCY (0.78) AHCYNADKDOT1LPNMTDNMT1
SCHEMBL18572550 0.83 GNMT (0.76) AHCYNADKDOT1LGNMTPNMT
SCHEMBL22683279 0.83 GNMT (0.76) AHCYNADKDOT1LGNMTPNMT
SCHEMBL18572516 0.83 GNMT (0.76) AHCYNADKDOT1LGNMTPNMT
SCHEMBL13269081 0.81 TRDMT1 (0.63) AHCYNADKDOT1LDPP4MEN1
SCHEMBL10338481 0.81 GNMT (0.66) AHCYNADKDOT1LGNMTPNMT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1482977-A1 COMBINATION THERAPIES FOR TREATING METHYLTHIOADENOSINE PHOSPHORYLASE DEFICIENT CELLS PFIZER INC. (US) 2004-12-08 EP disclosed
US-20040043959-A1 Combination therapies for treating methylthioadenosine phosphorylase deficient cells AGOURON PHARMACEUTICALS INC. 2004-03-04 US disclosed
WO-2003074083-A1 COMBINATION THERAPIES FOR TREATING METHYLTHIOADENOSINE PHOSPHORYLASE DEFICIENT CELLS PFIZER INC. (US) 2003-09-12 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 (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-20040043959-A1 Combination therapies for treating methylthioadenosine phosphorylase deficient cells APRT, MTAP, TYMP AHCY 62/4885NADK 1514/4885DOT1L 1250/4885

“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.