SCHEMBL1594907

SCHEMBL1594907

CSc1nnc(-c2ccc3cnccc3c2)s1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 3/20 0.44
AKT1 P31749 3/20 0.44
SGK1 O00141 1/20 0.44
PIM1 P11309 2/20 0.44
PIM3 Q86V86 2/20 0.44
PTGS1 P23219 3/20 0.43
PTGS2 P35354 3/20 0.43
AR P10275 1/20 0.43
PRKCZ Q05513 1/20 0.39
TDO2 P48775 1/20 0.37
ALOX15 P16050 2/20 0.36
PTPN11 Q06124 2/20 0.36
PIM2 Q9P1W9 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
GSK3B P49841 1/20 0.35
CDC7 O00311 1/20 0.35
CCNE1 P24864 1/20 0.35
DBF4 Q9UBU7 1/20 0.35
CYP11B1 P15538 1/20 0.34

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
SCHEMBL8157379 0.82 PIM1 (0.53) PIM1PIM3PTGS1PTGS2AR
SCHEMBL12706160 0.81 GSK3B (0.46) CDK2AKT1SGK1PRKCZGSK3B
SCHEMBL31729631 0.81 GSK3B (0.46) CDK2AKT1SGK1PRKCZGSK3B
SCHEMBL1600580 0.79 CDK2 (0.45) CDK2AKT1SGK1PIM1AR
SCHEMBL14260753 0.78 KDM4E (0.59) CDK2AKT1SGK1PIM1PIM3
SCHEMBL1594955 0.78 KDM4E (0.57) CDK2AKT1SGK1PRKCZMEN1
SCHEMBL14549144 0.78 CDK2 (0.44) CDK2AKT1SGK1ARPRKCZ
SCHEMBL1595225 0.75 CDK2 (0.41) CDK2AKT1SGK1PIM1AR
SCHEMBL1595231 0.75 CDK2 (0.42) CDK2AKT1SGK1PIM1PIM3
SCHEMBL1594532 0.74 PTGS1 (0.43) PIM1PIM3PTGS1PTGS2PIM2

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 9 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
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
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 CDK2 85/4885AKT1 29/4885SGK1 139/4885

“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.