SCHEMBL1596526

SCHEMBL1596526

CC(C)(C)OC(=O)Nc1nnc(-c2cccc3cnncc23)s1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 8/20 0.46
HSD17B10 Q99714 6/20 0.46
ALDH1A1 P00352 6/20 0.46
NPC1 O15118 4/20 0.46
RAB9A P51151 3/20 0.46
HPGD P15428 3/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
TP53 P04637 2/20 0.46
PKM P14618 1/20 0.46
CASP3 P42574 1/20 0.46
SENP8 Q96LD8 1/20 0.46
SENP7 Q9BQF6 1/20 0.46
SENP6 Q9GZR1 1/20 0.46
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
LCK P06239 4/20 0.43
HDAC1 Q13547 1/20 0.43
HDAC2 Q92769 1/20 0.43
CYP1A2 P05177 1/20 0.41
AHR P35869 1/20 0.41

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
SCHEMBL1595152 0.82 HDAC1 (0.48) KDM4EHSD17B10ALDH1A1NPC1RAB9A
SCHEMBL23635873 0.76 KDM4E (0.54) KDM4EHSD17B10ALDH1A1NPC1RAB9A
SCHEMBL30842121 0.74 KDM4E (0.53) KDM4EHSD17B10ALDH1A1NPC1RAB9A
SCHEMBL27097750 0.74 KDM4E (0.53) KDM4EHSD17B10ALDH1A1NPC1RAB9A
SCHEMBL27097771 0.69 KDM4E (0.56) KDM4EHSD17B10ALDH1A1NPC1RAB9A
SCHEMBL30842116 0.68 KDM4E (0.47) KDM4EHSD17B10ALDH1A1NPC1RAB9A
SCHEMBL23635969 0.68 KDM4E (0.47) KDM4EHSD17B10ALDH1A1NPC1RAB9A
SCHEMBL23635946 0.68 KDM4E (0.55) KDM4EHSD17B10ALDH1A1NPC1RAB9A
SCHEMBL1595644 0.68 KDM4E (0.51) KDM4EHSD17B10ALDH1A1NPC1RAB9A
SCHEMBL1595211 0.67 KDM4E (0.51) KDM4EHSD17B10ALDH1A1NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7919504-B2 Thiadiazole modulators of PKB AMGEN INC. (US) 2011-04-05 US disclosed
US-7919504-B2 Thiadiazole modulators of PKB AMGEN INC. (US) 2011-04-05 US disclosed
EP-2167504-A2 THIADIAZOLE MODULATORS OF PKB Amgen, Inc (US) 2010-03-31 EP disclosed
US-20090298836-A1 Thiadiazole modulators of PKB AMGEN INC. (US) 2009-12-03 US disclosed
US-20090298836-A1 Thiadiazole modulators of PKB AMGEN INC. (US) 2009-12-03 US disclosed
WO-2009011871-A2 THIADIAZOLE MODULATORS OF PKB AMGEN INC. (US) 2009-01-22 WO disclosed
WO-2009011871-A2 THIADIAZOLE MODULATORS OF PKB AMGEN INC. (US) 2009-01-22 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-20090298836-A1 Thiadiazole modulators of PKB PDK1, PDK2, MTOR KDM4E 3328/4885HSD17B10 1158/4885ALDH1A1 2642/4885

“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.