SCHEMBL12344697

SCHEMBL12344697

COc1ccccc1-c1n[nH]c2ncc(-c3cccc(C(=O)NC4CC4)c3)cc12

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TNIK Q9UKE5 1/20 0.47
TLR8 Q9NR97 2/20 0.45
TLR7 Q9NYK1 2/20 0.45
TLR9 Q9NR96 1/20 0.45
MAP3K5 Q99683 1/20 0.45
NEK1 Q96PY6 1/20 0.45
ROCK2 O75116 1/20 0.45
ROCK1 Q13464 1/20 0.45
FYN P06241 1/20 0.44
ERN1 O75460 1/20 0.44
AAK1 Q2M2I8 2/20 0.44
LRRK2 Q5S007 1/20 0.44
ABL1 P00519 1/20 0.44
AXL P30530 1/20 0.43
POLQ O75417 1/20 0.43
BRAF P15056 1/20 0.43
HTR7 P34969 1/20 0.43

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
SCHEMBL12344665 0.91 ABL1 (0.52) TNIKFYNAAK1ABL1POLQ
SCHEMBL12343294 0.91 FYN (0.55) ROCK2ROCK1FYNAAK1ABL1
SCHEMBL3373289 0.89 AXL (0.55) NEK1ROCK2ROCK1FYNAAK1
SCHEMBL12343302 0.87 FYN (0.51) ROCK2FYN
SCHEMBL12344574 0.87 NEK1 (0.46) NEK1FYNAAK1ABL1AXL
SCHEMBL3371495 0.87 NEK1 (0.60) NEK1ROCK2ROCK1FYNAAK1
SCHEMBL12343172 0.86 FYN (0.50) FYNAXL
SCHEMBL12343147 0.86 NPC1 (0.47) FYNABL1AXL
SCHEMBL12343729 0.84 ABL1 (0.59) TNIKNEK1FYNAAK1ABL1
SCHEMBL12344666 0.83 FYN (0.62) FYNABL1

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 13 patents. 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-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-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-7626021-B2 Fused ring heterocycle kinase modulators SGX PHARMACEUTICALS, INC. (US) 2009-12-01 US disclosed
US-7626021-B2 Fused ring heterocycle kinase modulators SGX PHARMACEUTICALS, INC. (US) 2009-12-01 US disclosed
US-20090203687-A1 FUSED RING HETEROCYCLE KINASE MODULATORS SGX PHARMACEUTICALS, INC. (US) 2009-08-13 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-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

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-20070287711-A1 FUSED RING HETEROCYCLE KINASE MODULATORS MAP3K20, TTK, MAP3K19 TNIK 119/4885TLR8 3952/4885TLR7 3914/4885
US-20100036118-A1 Fused Ring Heterocycle Kinase Modulators MAP3K20, TTK, MAP3K19 TNIK 119/4885TLR8 3952/4885TLR7 3914/4885
US-20090203687-A1 FUSED RING HETEROCYCLE KINASE MODULATORS MAP3K20, TTK, MAP3K19 TNIK 119/4885TLR8 3952/4885TLR7 3914/4885

“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.