SCHEMBL3375903

SCHEMBL3375903

COc1ccccc1-c1n[nH]c2ncc(-c3cccc(C(=O)N4CCCC4)c3)cc12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP3K11 Q16584 2/20 0.49
EGLN1 Q9GZT9 2/20 0.48
TNIK Q9UKE5 2/20 0.47
PIK3CD O00329 10/20 0.47
PIK3CA P42336 10/20 0.47
PIK3CB P42338 9/20 0.47
PIK3CG P48736 9/20 0.47
KCNH2 Q12809 5/20 0.47
CDK4 P11802 1/20 0.45
CCND1 P24385 1/20 0.45
PLK4 O00444 1/20 0.44
JAK2 O60674 1/20 0.44
MAP4K4 O95819 1/20 0.44
ROS1 P08922 1/20 0.44
FGFR1 P11362 1/20 0.44
FLT1 P17948 1/20 0.44
MARK3 P27448 1/20 0.44
FLT4 P35916 1/20 0.44
KDR P35968 1/20 0.44
FLT3 P36888 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
SCHEMBL3376635 0.94 PIK3CD (0.54) MAP3K11TNIKPIK3CDPIK3CAPIK3CB
SCHEMBL12343087 0.94 EGLN1 (0.45) MAP3K11EGLN1TNIKPIK3CDPIK3CA
SCHEMBL12342842 0.92 JAK2 (0.55) MAP3K11PIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL12343096 0.92 MAP3K11 (0.47) MAP3K11EGLN1PIK3CDPIK3CAPIK3CB
SCHEMBL3374236 0.91 ABL1 (0.51) MAP3K11PIK3CDPIK3CAPIK3CBKCNH2
SCHEMBL12343289 0.91 ABL1 (0.47) MAP3K11KCNH2CDK4CCND1NPC1
SCHEMBL3374205 0.91 SLC6A7 (0.56) MAP3K11PIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL12343250 0.91 BMPR1B (0.50) MAP3K11PIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL12343301 0.90 HPGD (0.47) MAP3K11KCNH2CDK4CCND1NPC1
SCHEMBL12343275 0.90 MAP3K11 (0.47) MAP3K11EGLN1TNIKPIK3CDPIK3CA

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 29 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-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
EP-1778687-A2 FUSED RING HETEROCYCLE KINASE MODULATORS SGX Pharmaceuticals, Inc. (US) 2007-05-02 EP disclosed
US-20060035898-A1 Fused ring heterocycle kinase modulators STRUCTURAL GENOMIX, INC. (US) 2006-02-16 US disclosed
WO-2006015124-A2 FUSED RING HETEROCYCLE KINASE MODULATORS SGX PHARMACEUTICALS, INC. (US) 2006-02-09 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 (3 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 MAP3K11 26/4885EGLN1 2462/4885TNIK 119/4885
US-20070287711-A1 FUSED RING HETEROCYCLE KINASE MODULATORS MAP3K20, TTK, MAP3K19 MAP3K11 26/4885EGLN1 2462/4885TNIK 119/4885
US-20100036118-A1 Fused Ring Heterocycle Kinase Modulators MAP3K20, TTK, MAP3K19 MAP3K11 26/4885EGLN1 2462/4885TNIK 119/4885

“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.