SCHEMBL2491390

SCHEMBL2491390

COc1ccc(/C=N/NC(=O)O)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 1.00
KMT2A Q03164 5/20 0.73
SMN1; SMN2 Q16637 5/20 0.73
POLB P06746 1/20 0.73
MAOA P21397 1/20 0.64
RAB9A P51151 5/20 0.62
MEN1 O00255 3/20 0.62
LMNA P02545 1/20 0.61
ALDH1A1 P00352 1/20 0.60
PKM P14618 1/20 0.60
HTT P42858 1/20 0.60
MAPT P10636 3/20 0.59
NPC1 O15118 3/20 0.59
HDAC3 O15379 1/20 0.59
HDAC1 Q13547 1/20 0.59
HDAC2 Q92769 1/20 0.59
HDAC10 Q969S8 1/20 0.59
HDAC8 Q9BY41 1/20 0.59
HDAC6 Q9UBN7 1/20 0.59
TP53 P04637 1/20 0.59

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
SCHEMBL2491393 1.00 CYP1A2 (1.00) CYP1A2KMT2ASMN1; SMN2POLBMAOA
SCHEMBL19449690 0.88 CYP1A2 (0.78) CYP1A2KMT2ASMN1; SMN2POLBMAOA
SCHEMBL17560844 0.88 CYP1A2 (0.78) CYP1A2KMT2ASMN1; SMN2POLBMAOA
SCHEMBL29659678 0.86 CYP1A2 (0.76) CYP1A2KMT2ASMN1; SMN2POLBMAOA
SCHEMBL17560740 0.85 CYP1A2 (0.73) CYP1A2KMT2ASMN1; SMN2POLBMAOA
SCHEMBL17560738 0.85 CYP1A2 (0.73) CYP1A2KMT2ASMN1; SMN2POLBMAOA
SCHEMBL28632043 0.85 CYP1A2 (0.73) CYP1A2KMT2ASMN1; SMN2POLBMAOA
SCHEMBL12735427 0.83 MAPT (0.82) CYP1A2KMT2ASMN1; SMN2POLBRAB9A
SCHEMBL6444113 0.83 CYP1A2 (0.71) CYP1A2KMT2ASMN1; SMN2POLBMAOA
SCHEMBL6444110 0.83 CYP1A2 (0.71) CYP1A2KMT2ASMN1; SMN2POLBMAOA

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 6 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

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-20100286139-A1 AMINO PYRAZOLE COMPOUND MCL1, MYC, PML CYP1A2 2619/4885KMT2A 237/4885SMN1; SMN2 2537/4885
US-20100152181-A1 AMINO PYRAZOLE COMPOUND MCL1, MYC, PML CYP1A2 2619/4885KMT2A 237/4885SMN1; 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.