SCHEMBL2545072

SCHEMBL2545072

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

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 4/20 0.38
CDK2 P24941 3/20 0.38
TRPV3 Q8NET8 1/20 0.36
SYK P43405 1/20 0.36
FFAR1 O14842 3/20 0.34
GSK3B P49841 5/20 0.34
DYRK1A Q13627 5/20 0.34
WNT1 P04628 4/20 0.34
HDAC1 Q13547 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
FFAR2 O15552 1/20 0.33
ABL1 P00519 1/20 0.32
NR1H4 Q96RI1 1/20 0.32
PTGDR2 Q9Y5Y4 1/20 0.32

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
SCHEMBL2545074 1.00 AKT1 (0.38) AKT1CDK2TRPV3SYKFFAR1
SCHEMBL13286160 0.89 AKT1 (0.37) AKT1CDK2SYKGSK3BDYRK1A
SCHEMBL2547009 0.86 CDK2 (0.34) AKT1CDK2SYKFFAR1GSK3B
SCHEMBL3708146 0.86 CDK2 (0.34) AKT1CDK2SYKFFAR1GSK3B
SCHEMBL2547011 0.86 CDK2 (0.34) AKT1CDK2SYKFFAR1GSK3B
Trifluoroacetic Acid SCHEMBL2547822 0.85 AKT1 (0.41) AKT1CDK2SYKFFAR1
SCHEMBL12266702 0.85 AKT1 (0.42) AKT1CDK2
SCHEMBL3708170 0.84 AKT1 (0.45) AKT1CDK2SYKFFAR1GSK3B
SCHEMBL1744296 0.84 AKT1 (0.45) AKT1CDK2SYKFFAR1GSK3B
SCHEMBL2544075 0.83 CDK2 (0.34) AKT1CDK2SYKFFAR1GSK3B

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 151/4885TRPV3 2927/4885

“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.