SCHEMBL1594969

SCHEMBL1594969

CC(C)(C)OC(=O)Nc1nnc(-c2ccc3cnsc3c2)s1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.44
RAB9A P51151 4/20 0.44
NPC1 O15118 3/20 0.44
MAPT P10636 2/20 0.44
KMT2A Q03164 2/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
ALDH1A1 P00352 5/20 0.43
HPGD P15428 4/20 0.43
HSD17B10 Q99714 3/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
GAA P10253 1/20 0.43
RCE1 Q9Y256 1/20 0.43
CSNK2A2 P19784 5/20 0.41
CSNK2A1 P68400 5/20 0.41
USP2 O75604 1/20 0.40
NFKB1 P19838 1/20 0.40
NFKB2 Q00653 1/20 0.40
RELA Q04206 1/20 0.40
MEN1 O00255 1/20 0.39

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
SCHEMBL1594299 0.82 CSNK2A1 (0.43) KDM4ERAB9ANPC1MAPTKMT2A
SCHEMBL1595211 0.80 KDM4E (0.51) KDM4ERAB9ANPC1MAPTKMT2A
SCHEMBL12706266 0.79 GSK3B (0.48) KDM4ERAB9ANPC1MAPTKMT2A
SCHEMBL1595419 0.76 POLQ (0.50) KDM4ERAB9ANPC1MAPTKMT2A
SCHEMBL27097742 0.72 KDM4E (0.58) KDM4ERAB9ANPC1MAPTKMT2A
SCHEMBL1594010 0.72 CSNK2A2 (0.46) KDM4ERAB9ANPC1MAPTKMT2A
SCHEMBL12727893 0.71 TRPM5 (0.46)
SCHEMBL21376187 0.69 TRPM5 (0.44) KDM4EMAPTALDH1A1HPGDGAA
SCHEMBL1596526 0.67 KDM4E (0.46) KDM4ERAB9ANPC1KMT2ACA1
SCHEMBL4294343 0.67 GSK3B (0.47) CSNK2A2CSNK2A1LCK

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 3328/4885RAB9A 2638/4885NPC1 2247/4885

“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.