SCHEMBL1742750

SCHEMBL1742750

O=C(O)NC(C#Cc1nc(CO)cs1)Cc1ccc(C(F)(F)F)cc1

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
PTPRB P23467 2/20 0.38
SCD O00767 1/20 0.38
LMNA P02545 3/20 0.38
HTT P42858 1/20 0.38
MRE11 P49959 1/20 0.37
POLB P06746 2/20 0.37
KDM4E B2RXH2 1/20 0.36
MAPT P10636 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
TP53 P04637 4/20 0.36
FFAR1 O14842 1/20 0.36
CNR2 P34972 1/20 0.34
FPR2 P25090 1/20 0.34
CTSL P07711 1/20 0.34
CTSK P43235 1/20 0.34
GCGR P47871 1/20 0.34
GIPR P48546 1/20 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
SCHEMBL1744178 0.87 PTPRB (0.49) HDAC1HDAC6PTPRBMRE11CTSK
SCHEMBL1742576 0.75 HDAC1 (0.50) HDAC1HDAC6PTPRBSCDLMNA
SCHEMBL20397593 0.72 CTSL (0.54) FPR2CTSLCTSK
SCHEMBL20397591 0.72 CTSL (0.54) FPR2CTSLCTSK
SCHEMBL2550290 0.72 FPR2 (0.44) POLBMAPTTP53FFAR1CNR2
SCHEMBL12241789 0.67 PTPRB (0.49) HDAC1HDAC6PTPRBLMNAKDM4E
SCHEMBL1519784 0.66 EGFR (0.47) LMNAFFAR1CNR2FPR2
SCHEMBL18002963 0.65 HDAC1 (0.50) HDAC1HDAC6SCDLMNAHTT
SCHEMBL20397902 0.65 CTSC (0.48) CTSLCTSK
SCHEMBL20397904 0.65 CTSC (0.48) CTSLCTSK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2387570-A1 FLUOROISOQUINOLINE SUBSTITUTED THIAZOLE COMPOUNDS AND METHODS OF USE Amgen, Inc (US) 2011-11-23 EP disclosed
US-20110263647-A1 FLUOROISOQUINOLINE SUBSTITUTED THIAZOLE COMPOUNDS AND METHODS OF USE AMGEN INC. (US) 2011-10-27 US disclosed
WO-2010083246-A1 FLUOROISOQUINOLINE SUBSTITUTED THIAZOLE COMPOUNDS AND METHODS OF USE AMGEN INC. (US) 2010-07-22 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-20110263647-A1 FLUOROISOQUINOLINE SUBSTITUTED THIAZOLE COMPOUNDS AND METHODS OF USE TFEB, PCK2, JAK2 HDAC1 468/4885HDAC6 362/4885PTPRB 879/4885

“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.