SCHEMBL5376459

SCHEMBL5376459

Cc1cccc(Nc2n[nH]c(SCc3cc(C)on3)n2)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
METAP2 P50579 8/20 0.53
POLB P06746 2/20 0.41
TP53 P04637 1/20 0.41
MAPT P10636 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
NFKB1 P19838 1/20 0.40
MEN1 O00255 1/20 0.39
RECQL P46063 1/20 0.39
KMT2A Q03164 1/20 0.39
CDK1 P06493 1/20 0.38
CCNB1 P14635 1/20 0.38
CCNA2 P20248 1/20 0.38
CDK2 P24941 1/20 0.38
CDK5 Q00535 1/20 0.38
CDK5R1 Q15078 1/20 0.38
ALDH1A1 P00352 1/20 0.38
HTT P42858 1/20 0.38
AURKA O14965 1/20 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
SCHEMBL5371852 0.90 METAP2 (0.55) METAP2POLBMAPTSMN1; SMN2NPC1
SCHEMBL5385578 0.88 METAP2 (0.65) METAP2TP53MAPTSMN1; SMN2NPC1
SCHEMBL5385632 0.87 METAP2 (0.69) METAP2POLBTP53CDK1CCNB1
SCHEMBL5376879 0.83 METAP2 (0.67) METAP2POLBMAPTMEN1KMT2A
SCHEMBL5376421 0.82 METAP2 (0.51) METAP2NPC1RAB9ANFKB1MEN1
SCHEMBL5376901 0.82 METAP2 (0.66) METAP2TP53MAPTSMN1; SMN2NPC1
SCHEMBL5380336 0.82 METAP2 (0.69) METAP2
SCHEMBL5376819 0.82 METAP2 (0.68) METAP2MAPTSMN1; SMN2NPC1RAB9A
SCHEMBL5376637 0.81 METAP2 (0.46) METAP2TP53MAPTSMN1; SMN2NPC1
SCHEMBL5384822 0.79 METAP2 (0.50) METAP2TP53MAPTSMN1; SMN2NPC1

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
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

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 1/4885POLB 1040/4885TP53 1750/4885

“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.