SCHEMBL13869844

SCHEMBL13869844

CC(C)(C)OC(=O)n1c(-c2n[nH]c3ccsc23)c(Br)c2ccc(OCCCN3CCCCC3)cc21

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 6/20 0.39
FGFR1 P11362 1/20 0.38
FLT1 P17948 1/20 0.38
HTR3A P46098 3/20 0.37
MAOB P27338 2/20 0.37
KDM4E B2RXH2 2/20 0.37
ALDH1A1 P00352 2/20 0.37
KMT2A Q03164 2/20 0.37
MEN1 O00255 1/20 0.37
HRH2 P25021 1/20 0.36
HRH1 P35367 1/20 0.36
LCK P06239 1/20 0.36
TXK P42681 1/20 0.36
SYK P43405 1/20 0.36
ITK Q08881 1/20 0.36
POLB P06746 1/20 0.35
MAPT P10636 1/20 0.35
MAPK8 P45983 1/20 0.35
MAPK9 P45984 1/20 0.35
MAPK10 P53779 1/20 0.35

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
SCHEMBL1620912 0.76 FGFR1 (0.51) HRH3FGFR1FLT1HTR3AHRH1
SCHEMBL2898132 0.72 FGFR1 (0.51) HRH3FGFR1FLT1HTR3AHRH1
SCHEMBL1620865 0.69 HRH3 (0.51) HRH3FGFR1FLT1HTR3ALCK
SCHEMBL1621737 0.69 HRH3 (0.51) HRH3FGFR1FLT1HTR3AHRH1
SCHEMBL1622372 0.69 FGFR1 (0.69) HRH3FGFR1FLT1HTR3A
SCHEMBL16424238 0.64 HRH3 (0.52) HRH3MAOBKDM4EALDH1A1KMT2A
SCHEMBL1623184 0.64 NR1H2 (0.40) HRH3MAOBKDM4EALDH1A1KMT2A
SCHEMBL1621980 0.64 ITK (0.52) HRH3FGFR1FLT1HTR3AHRH1
SCHEMBL13869880 0.63 FGFR1 (0.61) FGFR1FLT1
SCHEMBL6070778 0.63 HRH3 (0.74) HRH3HRH1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7518000-B2 Thienopyrazoles AVENTIS PHARMACEUTICALS, INC. (US) 2009-04-14 US disclosed
US-7518000-B2 Thienopyrazoles AVENTIS PHARMACEUTICALS, INC. (US) 2009-04-14 US disclosed
US-20070254937-A1 Thienopyrazoles AVENTIS PHARMACEUTICALS INC. (US) 2007-11-01 US disclosed
US-20070254937-A1 Thienopyrazoles AVENTIS PHARMACEUTICALS INC. (US) 2007-11-01 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-20070254937-A1 Thienopyrazoles ITK, IL2, JAK2 HRH3 986/4885FGFR1 846/4885FLT1 1207/4885

“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.