SCHEMBL4201545

SCHEMBL4201545

CN(C)Cc1cccc(N(NC(=O)OC(C)(C)C)C(=O)OC(C)(C)C)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 3/20 0.45
CTSL P07711 2/20 0.43
CTSB P07858 2/20 0.43
CTSS P25774 2/20 0.43
PTGES O14684 1/20 0.39
HDAC1 Q13547 2/20 0.37
HDAC3 O15379 1/20 0.37
HDAC2 Q92769 1/20 0.37
NCOR2 Q9Y618 1/20 0.37
KMT2A Q03164 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
KCNQ4 P56696 1/20 0.37
KCNQ5 Q9NR82 1/20 0.37
AOC3 Q16853 1/20 0.37
GLS O94925 1/20 0.37
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA7 P43166 1/20 0.36
CA14 Q9ULX7 1/20 0.36
TMEM97 Q5BJF2 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
SCHEMBL4206796 0.79 CHRNB2 (0.49)
SCHEMBL10565579 0.79 AKT1 (0.49) AKT1CTSLCTSBCTSSKMT2A
SCHEMBL21934953 0.79 CYP3A4 (0.41) AKT1CTSLCTSBCTSSKMT2A
SCHEMBL4211777 0.78 ABL1 (0.42) CTSLCTSBCTSS
SCHEMBL25541945 0.78 RAB9A (0.38) AKT1CTSLCTSBCTSSHDAC1
SCHEMBL21934955 0.78 RAB9A (0.43) AKT1L3MBTL1TSHR
SCHEMBL1785915 0.77 MEN1 (0.44) KMT2A
SCHEMBL15007126 0.77 NPFFR1 (0.42) AKT1
SCHEMBL1786011 0.76 KCNQ3 (0.40) AKT1TSHR
SCHEMBL6661030 0.76 GLS (0.52) AKT1HDAC1L3MBTL1GLSCA12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090012079-A1 Triazolopyridine Compounds LEWTHWAITE RUSSELL ANDREW 2009-01-08 US disclosed
US-20090012079-A1 Triazolopyridine Compounds LEWTHWAITE RUSSELL ANDREW 2009-01-08 US disclosed
US-20090012079-A1 Triazolopyridine Compounds LEWTHWAITE RUSSELL ANDREW 2009-01-08 US disclosed
WO-2007091152-A1 TRIAZOLOPYRIDINE COMPOUNDS PFIZER LIMITED (GB) 2007-08-16 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-20090012079-A1 Triazolopyridine Compounds MAPKAPK5, MAPK1, MAPK4 AKT1 2088/4885CTSL 2570/4885CTSB 1581/4885

“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.