SCHEMBL3372432

SCHEMBL3372432

O=C(c1cccc(-c2cnc3[nH]nc(I)c3c2)c1)N1CCOCC1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ JAK2 O60674 2/20 0.65
▸ PLK4 O00444 1/20 0.65
▸ MAP4K4 O95819 1/20 0.65
▸ ROS1 P08922 1/20 0.65
▸ FGFR1 P11362 1/20 0.65
▸ FLT1 P17948 1/20 0.65
▸ MARK3 P27448 1/20 0.65
▸ FLT4 P35916 1/20 0.65
▸ KDR P35968 1/20 0.65
▸ FLT3 P36888 1/20 0.65
▸ CLK2 P49760 1/20 0.65
▸ CSNK1G2 P78368 1/20 0.65
▸ MAP4K2 Q12851 1/20 0.65
▸ ROCK1 Q13464 1/20 0.65
▸ NTRK3 Q16288 1/20 0.65
▸ MINK1 Q8N4C8 1/20 0.65
▸ AURKB Q96GD4 1/20 0.65
▸ PRKD2 Q9BZL6 1/20 0.65
▸ CLK4 Q9HAZ1 1/20 0.65
▸ MAP4K5 Q9Y4K4 1/20 0.65

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
SCHEMBL3489058 0.94 PLK4 (0.63) JAK2PLK4MAP4K4ROS1FGFR1
SCHEMBL1516580 0.87 PLK4 (0.66) JAK2PLK4MAP4K4ROS1FGFR1
SCHEMBL12343017 0.85 PLK4 (0.62) JAK2PLK4MAP4K4ROS1FGFR1
SCHEMBL12343005 0.84 PLK4 (0.61) JAK2PLK4MAP4K4ROS1FGFR1
SCHEMBL12343015 0.84 PLK4 (0.60) JAK2PLK4MAP4K4ROS1FGFR1
SCHEMBL3375060 0.84 JAK2 (0.60) JAK2PLK4MAP4K4ROS1FGFR1
SCHEMBL12343046 0.84 JAK2 (0.60) JAK2PLK4MAP4K4ROS1FGFR1
SCHEMBL12343043 0.84 JAK2 (0.60) JAK2PLK4MAP4K4ROS1FGFR1
SCHEMBL13116124 0.83 JAK2 (0.59) JAK2PLK4MAP4K4ROS1FGFR1
SCHEMBL12343014 0.83 PLK4 (0.59) JAK2PLK4MAP4K4ROS1FGFR1

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 JAK2 379/4885PLK4 342/4885MAP4K4 31/4885
US-20070287711-A1 FUSED RING HETEROCYCLE KINASE MODULATORS MAP3K20, TTK, MAP3K19 JAK2 379/4885PLK4 342/4885MAP4K4 31/4885
US-20100036118-A1 Fused Ring Heterocycle Kinase Modulators MAP3K20, TTK, MAP3K19 JAK2 379/4885PLK4 342/4885MAP4K4 31/4885

“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.

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