SCHEMBL17536757

SCHEMBL17536757

COc1cc(Nc2cc(C(F)(F)F)ccn2)cc(Br)n1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SYK P43405 2/20 0.45
IDH2 P48735 1/20 0.42
TEAD1 P28347 1/20 0.42
KIF11 P52732 3/20 0.41
SORT1 Q99523 1/20 0.41
AURKA O14965 1/20 0.40
ALDH1A1 P00352 1/20 0.40
GAA P10253 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
GAK O14976 2/20 0.40
EPHB6 O15197 1/20 0.40
RIPK2 O43353 1/20 0.40
ABL1 P00519 1/20 0.40
LCK P06239 1/20 0.40
EPHA1 P21709 1/20 0.40
EPHA8 P29322 1/20 0.40
TXK P42681 1/20 0.40
COQ8A Q8NI60 1/20 0.40
NLK Q9UBE8 1/20 0.40
KDR P35968 1/20 0.39

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
SCHEMBL16205296 0.77 SYK (0.56) SYK
SCHEMBL15819813 0.77 SYK (0.47) SYKIDH2TEAD1ALDH1A1GAA
SCHEMBL901922 0.76 ROCK1 (0.45) SYKIDH2AURKAALDH1A1GAA
SCHEMBL13726067 0.75 SYK (0.62) SYKIDH2MAP3K12
SCHEMBL15829252 0.74 SYK (0.49) SYKIDH2TEAD1NOS3NOS2
SCHEMBL13823683 0.73 IDH2 (0.49) SYKIDH2ALDH1A1GAAL3MBTL1
SCHEMBL13737619 0.72 NOS3 (0.49) SYKIDH2NOS3NOS2MAP3K12
SCHEMBL1704454 0.71 KARS1 (0.50) SYKIDH2TEAD1AURKANOS3
SCHEMBL27115514 0.71 SYK (0.52) SYKIDH2AURKACLK2CLK4
SCHEMBL31121348 0.70 NOS3 (0.52) SORT1ALDH1A1GAAL3MBTL1GAK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9745295-B2 Thiazole-substituted aminoheteroaryls as spleen tyrosine kinase inhibitors MERCK SHARP & DOHME CORP. (US) 2017-08-29 US disclosed
US-20160060255-A1 THIAZOLE-SUBSTITUTED AMINOHETEROARYLS AS SPLEEN TYROSINE KINASE INHIBITORS MERCK CANADA INC. (CA) 2016-03-03 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-20160060255-A1 THIAZOLE-SUBSTITUTED AMINOHETEROARYLS AS SPLEEN TYROSINE KINASE INHIBITORS SYK, TYRO3, BTK SYK 1/4885IDH2 3651/4885TEAD1 1515/4885

“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.