SCHEMBL2544590

SCHEMBL2544590

CC(C)(C)N(C(=O)O)C(CCc1ncc(-c2ccc3cnc(F)cc3c2)s1)Cc1ccc(C(F)(F)F)cc1

nearest known ligand 0.43

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 12/20 0.43
CDK2 P24941 8/20 0.43
SGK1 O00141 1/20 0.35
FFAR1 O14842 2/20 0.34
SYK P43405 1/20 0.34
PPARA Q07869 4/20 0.34
PPARD Q03181 4/20 0.34
PPARG P37231 3/20 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
SCHEMBL1744259 1.00 AKT1 (0.43) AKT1CDK2SGK1FFAR1SYK
SCHEMBL2544075 0.85 CDK2 (0.34) AKT1CDK2FFAR1SYKPPARA
SCHEMBL3708170 0.82 AKT1 (0.45) AKT1CDK2SGK1FFAR1SYK
SCHEMBL1744296 0.82 AKT1 (0.45) AKT1CDK2SGK1FFAR1SYK
SCHEMBL2548525 0.81 CDK2 (0.32) AKT1CDK2FFAR1SYKPPARD
SCHEMBL1595117 0.81 AKT1 (0.61) AKT1CDK2SGK1FFAR1
SCHEMBL1595258 0.81 CDK2 (0.39) AKT1CDK2SGK1
SCHEMBL1595254 0.81 CDK2 (0.39) AKT1CDK2SGK1
SCHEMBL12266153 0.80 AKT1 (0.57) AKT1CDK2SGK1
SCHEMBL1742573 0.80 AKT1 (0.57) AKT1CDK2SGK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110263647-A1 FLUOROISOQUINOLINE SUBSTITUTED THIAZOLE COMPOUNDS AND METHODS OF USE AMGEN INC. (US) 2011-10-27 US 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-20110263647-A1 FLUOROISOQUINOLINE SUBSTITUTED THIAZOLE COMPOUNDS AND METHODS OF USE TFEB, PCK2, JAK2 AKT1 74/4885CDK2 151/4885SGK1 98/4885

“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.