SCHEMBL5064057

SCHEMBL5064057

COc1ccccc1-c1nn(COC(=O)C(C)(C)C)c2ncc(B3OC(C)(C)C(C)(C)O3)cc12

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 2/20 0.40
ALPL P05186 1/20 0.37
MERTK Q12866 2/20 0.35
PDGFRB P09619 1/20 0.34
KDR P35968 1/20 0.34
AXL P30530 1/20 0.33
TYRO3 Q06418 1/20 0.33
GSK3A P49840 1/20 0.33
GSK3B P49841 1/20 0.33
PRMT5 O14744 1/20 0.32
WDR77 Q9BQA1 1/20 0.32
POLB P06746 1/20 0.31
HCRTR1 O43613 1/20 0.31
HCRTR2 O43614 1/20 0.31

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
SCHEMBL3488643 0.83 MERTK (0.36) MERTKAXLTYRO3POLBHCRTR1
SCHEMBL3490148 0.82 MERTK (0.38) MERTKAXLTYRO3POLBHCRTR1
SCHEMBL3375859 0.82 MERTK (0.35) DGAT1ALPLMERTKPDGFRBKDR
SCHEMBL3488673 0.75 MAP4K1 (0.56)
SCHEMBL12343386 0.72 GSK3A (0.35) DGAT1PDGFRBKDRGSK3AGSK3B
SCHEMBL5065350 0.72 CTSA (0.35) MERTKHCRTR1HCRTR2
SCHEMBL12344552 0.72 AXL (0.33) DGAT1MERTKKDRAXLTYRO3
SCHEMBL3489783 0.71 KRAS (0.39) GSK3B
SCHEMBL3490706 0.71 AKT1 (0.33)
SCHEMBL5067392 0.70 HCRTR1 (0.36) MERTKHCRTR1HCRTR2

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8242280-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) 2012-08-14 US disclosed
US-8242280-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) 2012-08-14 US disclosed
US-8242280-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) 2012-08-14 US disclosed
US-20080261921-A1 FUSED RING HETEROCYCLE KINASE MODULATORS SGX PHARMACEUTICALS, INC. (US) 2008-10-23 US disclosed
US-20080261921-A1 FUSED RING HETEROCYCLE KINASE MODULATORS SGX PHARMACEUTICALS, INC. (US) 2008-10-23 US disclosed
US-20080261921-A1 FUSED RING HETEROCYCLE KINASE MODULATORS SGX PHARMACEUTICALS, INC. (US) 2008-10-23 US disclosed
WO-2008124848-A1 FUSED RING HETEROCYCLE KINASE MODULATORS SGX PHARMACEUTICALS, INC. (US) 2008-10-16 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 (1 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-20080261921-A1 FUSED RING HETEROCYCLE KINASE MODULATORS MAP3K20, MAP3K19, MAP4K2 DGAT1 2794/4885ALPL 4764/4885MERTK 388/4885

“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.