SCHEMBL2488965

SCHEMBL2488965

COc1ccc(C=NNC(=O)OC(C)(C)C)cc1

nearest known ligand 0.74

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MIF P14174 3/20 0.74
RAB9A P51151 7/20 0.72
SMN1; SMN2 Q16637 5/20 0.72
NPC1 O15118 4/20 0.72
RECQL P46063 1/20 0.72
MAPT P10636 4/20 0.70
KDM4E B2RXH2 3/20 0.69
CYP1A2 P05177 1/20 0.66
KMT2A Q03164 3/20 0.64
POLB P06746 1/20 0.64
LMNA P02545 2/20 0.62
ALDH1A1 P00352 1/20 0.62
MAOA P21397 1/20 0.56
MEN1 O00255 1/20 0.56

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
SCHEMBL2488962 1.00 MIF (0.74) MIFRAB9ASMN1; SMN2NPC1RECQL
SCHEMBL6444643 0.85 MIF (1.00) MIFRAB9ASMN1; SMN2NPC1RECQL
SCHEMBL13401232 0.85 MIF (0.78) MIFRAB9ASMN1; SMN2NPC1RECQL
SCHEMBL6444640 0.85 MIF (1.00) MIFRAB9ASMN1; SMN2NPC1RECQL
SCHEMBL5373502 0.84 MIF (0.76) MIFRAB9ASMN1; SMN2NPC1RECQL
SCHEMBL13903557 0.84 MIF (0.76) MIFRAB9ASMN1; SMN2NPC1RECQL
SCHEMBL17290220 0.84 MIF (0.76) MIFRAB9ASMN1; SMN2NPC1RECQL
SCHEMBL5373505 0.84 MIF (0.76) MIFRAB9ASMN1; SMN2NPC1RECQL
SCHEMBL6443003 0.84 MIF (0.76) MIFRAB9ASMN1; SMN2NPC1RECQL
SCHEMBL14902404 0.84 RAB9A (1.00) MIFRAB9ASMN1; SMN2NPC1RECQL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2379557-B1 AMINO PYRAZOLE COMPOUND LILLY CO ELI (US) 2012-10-31 EP disclosed
EP-2379557-A1 AMINO PYRAZOLE COMPOUND Eli Lilly and Company (US) 2011-10-26 EP disclosed
US-7897600-B2 Amino pyrazole compound ELI LILLY AND COMPANY (US) 2011-03-01 US disclosed
US-20100286139-A1 AMINO PYRAZOLE COMPOUND ELI LILLY AND COMPANY (US) 2010-11-11 US disclosed
WO-2010074947-A1 AMINO PYRAZOLE COMPOUND ELI LILLY AND COMPANY (US) 2010-07-01 WO disclosed
US-20100152181-A1 AMINO PYRAZOLE COMPOUND ELI LILLY AND COMPANY (US) 2010-06-17 US disclosed
US-20050130941-A1 Methods of treating alzheimer's disease PHARMACIA & UPJOHN COMPANY LLC 2005-06-16 US disclosed
EP-1392315-A1 METHODS OF TREATING ALZHEIMER'S DISEASE Elan Pharmaceuticals, Inc. (US) 2004-03-03 EP disclosed
WO-2002100410-A1 METHODS OF TREATING ALZHEIMER'S DISEASE ELAN PHARMACEUTICALS, INC. (US) 2002-12-19 WO disclosed
US-5753652-A Antiretroviral hydrazine derivatives NOVARTIS CORPORATION (US) 1998-05-19 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 (3 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-20100286139-A1 AMINO PYRAZOLE COMPOUND MCL1, MYC, PML MIF 3787/4885RAB9A 2461/4885SMN1; SMN2 2537/4885
US-20050130941-A1 Methods of treating alzheimer's disease BACE1, PSEN1, BACE2 MIF 3796/4885RAB9A 362/4885SMN1; SMN2 1200/4885
US-20100152181-A1 AMINO PYRAZOLE COMPOUND MCL1, MYC, PML MIF 3787/4885RAB9A 2461/4885SMN1; SMN2 2537/4885

“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.