Sugi Predict

Sugi Predict / Compounds / SCHEMBL5060835

SCHEMBL5060835

SCHEMBL5060835

COc1ccccc1-c1cn(S(=O)(=O)c2ccc(C)cc2)c2ncc(-c3cncc(C(OC(=O)C(C)(C)C)C(=O)N(C)C)c3)cc12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTPN11 Q06124 1/20 0.40
▸ ABL1 P00519 2/20 0.38
▸ MAPT P10636 2/20 0.36
▸ TSHR P16473 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ CTSA P10619 1/20 0.33
▸ MAP4K1 Q92918 1/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ HTT P42858 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ NPSR1 Q6W5P4 1/20 0.32
▸ BRD4 O60885 1/20 0.31
▸ SCN9A Q15858 2/20 0.31
▸ GPBAR1 Q8TDU6 1/20 0.31
▸ PIM1 P11309 1/20 0.31
▸ PIM2 Q9P1W9 1/20 0.31
▸ CCKAR P32238 1/20 0.30
▸ RIPK2 O43353 1/20 0.30
▸ L3MBTL1 Q9Y468 1/20 0.30

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
SCHEMBL5067371 0.83 PTPN11 (0.46) PTPN11ABL1MAPTTSHRSMN1; SMN2
SCHEMBL11968665 0.82 PTPN11 (0.43) PTPN11ABL1MAPTTSHRSMN1; SMN2
SCHEMBL11968480 0.80 PTPN11 (0.42) PTPN11ABL1MAPTTSHRSMN1; SMN2
SCHEMBL11968505 0.80 BRD4 (0.43) PTPN11ABL1MAPTTSHRSMN1; SMN2
SCHEMBL13010217 0.79 PTPN11 (0.55) PTPN11ABL1MAPTTSHRSMN1; SMN2
SCHEMBL5063973 0.78 PTPN11 (0.44) PTPN11ABL1MAPTTSHRSMN1; SMN2
SCHEMBL1517554 0.77 PTPN11 (0.44) PTPN11ABL1MAPTTSHRSMN1; SMN2
SCHEMBL1516618 0.77 PTPN11 (0.48) PTPN11ABL1MAPTTSHRSMN1; SMN2
SCHEMBL5060870 0.77 PTPN11 (0.46) PTPN11MAPTTSHRSMN1; SMN2CTSA
SCHEMBL5063982 0.76 PTPN11 (0.41) PTPN11ABL1MAPTTSHRSMN1; SMN2

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 4 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-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

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 PTPN11 886/4885ABL1 110/4885MAPT 2466/4885

“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.