SCHEMBL3374205

SCHEMBL3374205

COc1ccccc1-c1n[nH]c2ncc(-c3cccc(C(=O)N4CCN(c5ncccn5)CC4)c3)cc12

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A7 Q99884 5/20 0.56
ALDH1A1 P00352 2/20 0.52
HPGD P15428 1/20 0.52
KDM4E B2RXH2 4/20 0.48
DRD2 P14416 1/20 0.46
DRD4 P21917 1/20 0.46
DRD3 P35462 1/20 0.46
PIK3CD O00329 4/20 0.46
PIK3CA P42336 4/20 0.46
PIK3CB P42338 4/20 0.46
PIK3CG P48736 4/20 0.46
KCNH2 Q12809 2/20 0.46
MAP3K11 Q16584 1/20 0.46
PARP1 P09874 1/20 0.45
TLR8 Q9NR97 1/20 0.45
TLR7 Q9NYK1 1/20 0.45
TSHR P16473 2/20 0.44
USP2 O75604 1/20 0.44
LMNA P02545 1/20 0.44
TP53 P04637 1/20 0.44

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
SCHEMBL3375903 0.91 MAP3K11 (0.49) PIK3CDPIK3CAPIK3CBPIK3CGKCNH2
SCHEMBL12343264 0.90 TLR9 (0.51) SLC6A7ALDH1A1PIK3CDPIK3CAPIK3CB
SCHEMBL3376635 0.90 PIK3CD (0.54) PIK3CDPIK3CAPIK3CBPIK3CGKCNH2
SCHEMBL12343096 0.88 MAP3K11 (0.47) PIK3CDPIK3CAPIK3CBPIK3CGKCNH2
SCHEMBL12342842 0.88 JAK2 (0.55) ALDH1A1HPGDPIK3CDPIK3CAPIK3CB
SCHEMBL12343254 0.87 CLK4 (0.50) ALDH1A1KDM4EPIK3CDPIK3CAPIK3CB
SCHEMBL12343250 0.87 BMPR1B (0.50) PIK3CDPIK3CAPIK3CBPIK3CGKCNH2
SCHEMBL12343085 0.86 PIK3CD (0.45) ALDH1A1DRD2DRD3PIK3CDPIK3CA
SCHEMBL12343275 0.86 MAP3K11 (0.47) ALDH1A1PIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL12343268 0.86 MAP3K11 (0.45) PIK3CDPIK3CAPIK3CBPIK3CGKCNH2

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 27 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8268994-B2 Fused ring heterocycle kinase modulators SGX PHARMACEUTICALS, INC. (US) 2012-09-18 US disclosed
US-8268994-B2 Fused ring heterocycle kinase modulators SGX PHARMACEUTICALS, INC. (US) 2012-09-18 US disclosed
US-8268994-B2 Fused ring heterocycle kinase modulators SGX PHARMACEUTICALS, INC. (US) 2012-09-18 US disclosed
US-7829558-B2 Fused ring heterocycle kinase modulators SGX PHARMACEUTICALS, INC. (US) 2010-11-09 US disclosed
US-7829558-B2 Fused ring heterocycle kinase modulators SGX PHARMACEUTICALS, INC. (US) 2010-11-09 US disclosed
US-7829558-B2 Fused ring heterocycle kinase modulators SGX PHARMACEUTICALS, INC. (US) 2010-11-09 US disclosed
EP-2239262-A2 Fused ring heterocycle kinase modulators SGX Pharmaceuticals, Inc. (US) 2010-10-13 EP disclosed
EP-2239262-A2 Fused ring heterocycle kinase modulators SGX Pharmaceuticals, Inc. (US) 2010-10-13 EP disclosed
US-20100036118-A1 Fused Ring Heterocycle Kinase Modulators SGX PHARMACEUTICALS, INC. 2010-02-11 US disclosed
US-20100036118-A1 Fused Ring Heterocycle Kinase Modulators SGX PHARMACEUTICALS, INC. 2010-02-11 US disclosed
US-20090203687-A1 FUSED RING HETEROCYCLE KINASE MODULATORS SGX PHARMACEUTICALS, INC. (US) 2009-08-13 US disclosed
US-7452993-B2 morpholin-4-yl-{3-[3-(1H-pyrazol-4-yl)-1H-pyrazolo[3,4-b]pyridin-5-yl-phenyl}-methanone; FMS-like tyrosine kinase 3 (FLT3), is implicated in cancers, including leukemia, such as acute myeloid leukemia (AML), acute lymphoblastic leukemia (ALL), and myelodysplasia SGX PHARMACEUTICALS, INC. (US) 2008-11-18 US disclosed
US-7452993-B2 morpholin-4-yl-{3-[3-(1H-pyrazol-4-yl)-1H-pyrazolo[3,4-b]pyridin-5-yl-phenyl}-methanone; FMS-like tyrosine kinase 3 (FLT3), is implicated in cancers, including leukemia, such as acute myeloid leukemia (AML), acute lymphoblastic leukemia (ALL), and myelodysplasia SGX PHARMACEUTICALS, INC. (US) 2008-11-18 US disclosed
US-7452993-B2 morpholin-4-yl-{3-[3-(1H-pyrazol-4-yl)-1H-pyrazolo[3,4-b]pyridin-5-yl-phenyl}-methanone; FMS-like tyrosine kinase 3 (FLT3), is implicated in cancers, including leukemia, such as acute myeloid leukemia (AML), acute lymphoblastic leukemia (ALL), and myelodysplasia SGX PHARMACEUTICALS, INC. (US) 2008-11-18 US disclosed
WO-2008124850-A1 FUSED RING HETEROCYCLE KINASE MODULATORS SGX PHARMACEUTICALS, INC. (US) 2008-10-16 WO disclosed
WO-2008124850-A1 FUSED RING HETEROCYCLE KINASE MODULATORS SGX PHARMACEUTICALS, INC. (US) 2008-10-16 WO disclosed
US-20070287711-A1 FUSED RING HETEROCYCLE KINASE MODULATORS SGX PHARMACEUTICALS, INC. (US) 2007-12-13 US disclosed
US-20070287711-A1 FUSED RING HETEROCYCLE KINASE MODULATORS SGX PHARMACEUTICALS, INC. (US) 2007-12-13 US disclosed
US-20070287711-A1 FUSED RING HETEROCYCLE KINASE MODULATORS SGX PHARMACEUTICALS, INC. (US) 2007-12-13 US disclosed
US-20060035898-A1 Fused ring heterocycle kinase modulators STRUCTURAL GENOMIX, INC. (US) 2006-02-16 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 (4 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-20060035898-A1 Fused ring heterocycle kinase modulators MAP3K20, TTK, MAP3K19 SLC6A7 4605/4885ALDH1A1 4383/4885HPGD 2710/4885
US-20070287711-A1 FUSED RING HETEROCYCLE KINASE MODULATORS MAP3K20, TTK, MAP3K19 SLC6A7 4605/4885ALDH1A1 4383/4885HPGD 2710/4885
US-20100036118-A1 Fused Ring Heterocycle Kinase Modulators MAP3K20, TTK, MAP3K19 SLC6A7 4605/4885ALDH1A1 4383/4885HPGD 2710/4885
US-20090203687-A1 FUSED RING HETEROCYCLE KINASE MODULATORS MAP3K20, TTK, MAP3K19 SLC6A7 4605/4885ALDH1A1 4383/4885HPGD 2710/4885

“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.