SCHEMBL2544075

SCHEMBL2544075

CC(C)(C)N(C(=O)O)[C@H](CCc1ncc(-c2ccc3cnc(F)cc3c2)s1)[C@@H](O)c1ccc(C(F)(F)F)cc1

nearest known ligand 0.34

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 3/20 0.34
AKT1 P31749 3/20 0.34
SYK P43405 1/20 0.32
GSK3B P49841 1/20 0.31
DYRK1A Q13627 1/20 0.31
PPARD Q03181 2/20 0.31
FFAR1 O14842 1/20 0.31
PPARA Q07869 2/20 0.30
AKR1C3 P42330 1/20 0.30
AKR1C2 P52895 1/20 0.30
PPARG P37231 1/20 0.30
SLC22A12 Q96S37 1/20 0.30

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
SCHEMBL2548525 0.88 CDK2 (0.32) CDK2AKT1SYKPPARDFFAR1
SCHEMBL2544590 0.85 AKT1 (0.43) CDK2AKT1SYKPPARDFFAR1
SCHEMBL1744259 0.85 AKT1 (0.43) CDK2AKT1SYKPPARDFFAR1
SCHEMBL2545074 0.83 AKT1 (0.38) CDK2AKT1SYKGSK3BDYRK1A
SCHEMBL2545072 0.83 AKT1 (0.38) CDK2AKT1SYKGSK3BDYRK1A
Trifluoroacetic Acid SCHEMBL2547822 0.82 AKT1 (0.41) CDK2AKT1SYKFFAR1
SCHEMBL12266702 0.81 AKT1 (0.42) CDK2AKT1
SCHEMBL13286160 0.80 AKT1 (0.37) CDK2AKT1SYKGSK3BDYRK1A
SCHEMBL3708146 0.76 CDK2 (0.34) CDK2AKT1SYKGSK3BDYRK1A
SCHEMBL2547011 0.76 CDK2 (0.34) CDK2AKT1SYKGSK3BDYRK1A

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 CDK2 151/4885AKT1 74/4885SYK 312/4885

“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.