SCHEMBL1595972

SCHEMBL1595972

O=C(O)N[C@H](CNc1nnc(-c2ccc3cnc(F)cc3c2)s1)Cc1ccc(C(F)(F)F)cc1

nearest known ligand 0.63

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 18/20 0.63
CDK2 P24941 13/20 0.63
SGK1 O00141 1/20 0.56
FFAR1 O14842 1/20 0.39
HDAC1 Q13547 1/20 0.38
HDAC2 Q92769 1/20 0.38

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
SCHEMBL12706273 0.89 AKT1 (0.58) AKT1CDK2SGK1HDAC1HDAC2
Trifluoroacetic Acid SCHEMBL1595385 0.86 AKT1 (0.75) AKT1CDK2SGK1
SCHEMBL3641191 0.84 AKT1 (0.83) AKT1CDK2SGK1
SCHEMBL3641195 0.84 AKT1 (0.83) AKT1CDK2SGK1
SCHEMBL3641199 0.84 AKT1 (0.83) AKT1CDK2SGK1
SCHEMBL1595117 0.83 AKT1 (0.61) AKT1CDK2SGK1FFAR1
SCHEMBL1595120 0.82 AKT1 (0.53) AKT1CDK2SGK1FFAR1HDAC1
SCHEMBL1744296 0.80 AKT1 (0.45) AKT1CDK2SGK1FFAR1
SCHEMBL3708170 0.80 AKT1 (0.45) AKT1CDK2SGK1FFAR1
SCHEMBL1744260 0.78 AKT1 (0.43) AKT1CDK2SGK1FFAR1

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-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
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 AKT1 29/4885CDK2 85/4885SGK1 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.