SCHEMBL12848869

SCHEMBL12848869

COCCNc1ccc(-c2ccc3c(c2)-c2sc(C(=O)Nc4c(F)cccc4F)nc2CCC3)cn1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
STIM1 Q13586 2/20 0.41
ORAI1 Q96D31 2/20 0.41
ADRA1A P35348 2/20 0.37
HCAR3 P49019 1/20 0.36
DGAT1 O75907 1/20 0.34
NPY5R Q15761 2/20 0.34
SYK P43405 2/20 0.34
ABL1 P00519 1/20 0.34
BDKRB1 P46663 3/20 0.34
INSR P06213 1/20 0.34
MET P08581 1/20 0.34
FYN P06241 1/20 0.33
MKNK1 Q9BUB5 1/20 0.33
NR4A2 P43354 2/20 0.33
DHODH Q02127 2/20 0.33
IKBKB O14920 1/20 0.33
FGFR4 P22455 1/20 0.33

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
SCHEMBL12848817 0.86 DHODH (0.40) NR4A2DHODH
SCHEMBL14222752 0.85 HDAC4 (0.38) STIM1ORAI1ABL1NR4A2DHODH
SCHEMBL12848541 0.85 MAPT (0.35) STIM1ORAI1NR4A2DHODH
SCHEMBL12848534 0.84 MAPT (0.34) STIM1ORAI1NR4A2DHODH
SCHEMBL12848538 0.83 ABL1 (0.37) STIM1ORAI1ABL1DHODH
SCHEMBL12848535 0.81 DHODH (0.51) NR4A2DHODH
SCHEMBL14222990 0.81 STIM1 (0.34) STIM1ORAI1HCAR3NPY5RINSR
SCHEMBL12848715 0.81 ABCB1 (0.40) NPY5RABL1
SCHEMBL12848819 0.80 MAPT (0.35) ABL1NR4A2DHODH
SCHEMBL12848711 0.80 ROCK2 (0.40)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8779154-B2 Fused ring compounds for inflammation and immune-related uses SYNTA PHARMACEUTICALS CORP. 2014-07-15 US disclosed
US-8779154-B2 Fused ring compounds for inflammation and immune-related uses SYNTA PHARMACEUTICALS CORP. 2014-07-15 US disclosed
US-20110052643-A1 COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP. (US) 2011-03-03 US disclosed
WO-2009089305-A1 COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP. (US) 2009-07-16 WO disclosed
US-20080132513-A1 FUSED RING COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP. (US) 2008-06-05 US disclosed
US-20080132513-A1 FUSED RING COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP. (US) 2008-06-05 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 (2 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-20080132513-A1 FUSED RING COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES NOD2, RORC, NLRP3 STIM1 739/4885ORAI1 1169/4885ADRA1A 2816/4885
US-20110052643-A1 COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES TSLP, NFATC1, IL5 STIM1 294/4885ORAI1 1397/4885ADRA1A 2547/4885

“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.