SCHEMBL5377355

SCHEMBL5377355

CCCCc1ccc(Nc2n[nH]c(SCc3ccc(F)c(F)c3)n2)cc1

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
METAP2 P50579 7/20 0.50
POLA1 P09884 6/20 0.43
MAPT P10636 2/20 0.39
HPGD P15428 2/20 0.39
TP53 P04637 1/20 0.39
XBP1 P17861 1/20 0.39
HTT P42858 1/20 0.39
ATM Q13315 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
HSD17B10 Q99714 1/20 0.39
STK17A Q9UEE5 1/20 0.37
MEN1 O00255 1/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
KMT2A Q03164 1/20 0.36

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
SCHEMBL5372028 0.88 POLA1 (0.45) POLA1MAPTHPGDTP53XBP1
SCHEMBL5380564 0.87 METAP2 (0.65) METAP2MAPTSMN1; SMN2MEN1NPC1
SCHEMBL5377263 0.85 METAP2 (0.65) METAP2MAPTTP53MEN1KMT2A
SCHEMBL5379180 0.84 POLA1 (0.46) METAP2POLA1MAPTHPGDSMN1; SMN2
SCHEMBL5384605 0.84 METAP2 (0.53) METAP2MAPTTP53SMN1; SMN2STK17A
SCHEMBL5380300 0.84 METAP2 (0.47) METAP2POLA1MAPTHPGDTP53
SCHEMBL5376838 0.84 METAP2 (0.67) METAP2MAPTHTT
SCHEMBL5385045 0.82 LMNA (0.49) METAP2POLA1MAPTHPGDTP53
SCHEMBL5397141 0.82 DAO (0.47) POLA1MAPTHPGDTP53SMN1; SMN2
SCHEMBL5374370 0.81 METAP2 (0.69) METAP2HPGDTP53MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1223932-A4 COMPOUNDS AND METHODS SMITHKLINE BEECHAM CORP (US) 2003-01-15 EP claimed
EP-1223932-A1 COMPOUNDS AND METHODS SmithKline Beecham Corporation (US) 2002-07-24 EP claimed
WO-2001024796-A1 1,2,4-TRIAZOLE DERIVATIVES, COMPOSITION, PROCESS OF MAKING AND METHODS OF USE SMITHKLINE BEECHAM CORPORATION (US) 2001-04-12 WO claimed
US-7304082-B2 1,2,4-triazole derivatives, compositions, process of making and methods of use SMITHKLINE BEECHAM CORPORATION (US) 2007-12-04 US disclosed
US-20050267185-A1 1,2,4-triazole derivatives, compositions, process of making and methods of use SMITHKLINE BEECHAM CORPORATION 2005-12-01 US disclosed
EP-1223932-A4 COMPOUNDS AND METHODS SMITHKLINE BEECHAM CORP (US) 2003-01-15 EP disclosed
EP-1223932-A1 COMPOUNDS AND METHODS SmithKline Beecham Corporation (US) 2002-07-24 EP disclosed
WO-2001024796-A1 1,2,4-TRIAZOLE DERIVATIVES, COMPOSITION, PROCESS OF MAKING AND METHODS OF USE SMITHKLINE BEECHAM CORPORATION (US) 2001-04-12 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-20050267185-A1 1,2,4-triazole derivatives, compositions, process of making and methods of use METAP2, METAP1, DNPEP METAP2 1/4885POLA1 1677/4885MAPT 2319/4885

“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.