SCHEMBL3374236

SCHEMBL3374236

COc1ccccc1-c1n[nH]c2ncc(-c3cncc(C(=O)N4CCCC4)c3)cc12

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 2/20 0.51
PIK3CD O00329 1/20 0.44
PIK3CA P42336 1/20 0.44
PIK3CB P42338 1/20 0.44
KCNH2 Q12809 1/20 0.44
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
HPGD P15428 2/20 0.43
ALDH1A1 P00352 1/20 0.43
POLB P06746 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
CCNC P24863 1/20 0.41
CDK8 P49336 1/20 0.41
TACR3 P29371 1/20 0.41
CYP11B2 P19099 1/20 0.40
GABRA1 P14867 1/20 0.40
GABRG2 P18507 1/20 0.40
GABRB3 P28472 1/20 0.40
GABRA5 P31644 1/20 0.40
GABRA3 P34903 1/20 0.40

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
SCHEMBL12343077 0.94 ABL1 (0.46) ABL1PIK3CDPIK3CAPIK3CBKCNH2
SCHEMBL13600053 0.92 ABL1 (0.49) ABL1PIK3CDPIK3CAPIK3CBKCNH2
SCHEMBL12343067 0.92 ABL1 (0.49) ABL1PIK3CDPIK3CAPIK3CBKCNH2
SCHEMBL3375903 0.91 MAP3K11 (0.49) PIK3CDPIK3CAPIK3CBKCNH2NPC1
SCHEMBL12343289 0.91 ABL1 (0.47) ABL1KCNH2NPC1RAB9AHPGD
SCHEMBL12343301 0.90 HPGD (0.47) ABL1KCNH2NPC1RAB9AHPGD
SCHEMBL12343073 0.90 ABL1 (0.47) ABL1PIK3CDPIK3CAPIK3CBKCNH2
SCHEMBL12343068 0.89 ABL1 (0.50) ABL1PIK3CDPIK3CAPIK3CBKCNH2
SCHEMBL12343074 0.87 ABL1 (0.47) ABL1GABRA5CAMKK2
SCHEMBL12343078 0.86 ABL1 (0.44) ABL1NPC1RAB9AHPGDALDH1A1

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 ABL1 141/4885PIK3CD 156/4885PIK3CA 227/4885
US-20070287711-A1 FUSED RING HETEROCYCLE KINASE MODULATORS MAP3K20, TTK, MAP3K19 ABL1 141/4885PIK3CD 156/4885PIK3CA 227/4885
US-20100036118-A1 Fused Ring Heterocycle Kinase Modulators MAP3K20, TTK, MAP3K19 ABL1 141/4885PIK3CD 156/4885PIK3CA 227/4885

“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.