SCHEMBL11968632

SCHEMBL11968632

CN(C)C(=O)C(O)c1cncc(-c2cnc3[nH]cc(-c4cccc(S(C)(=O)=O)c4)c3c2)c1

nearest known ligand 0.59

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CAMKK2 Q96RR4 2/20 0.59
PIK3CA P42336 3/20 0.51
BTK Q06187 3/20 0.51
ITK Q08881 3/20 0.51
RIPK1 Q13546 1/20 0.49
PLK4 O00444 1/20 0.47
IGF1R P08069 1/20 0.47
DYRK1A Q13627 1/20 0.46
AXL P30530 2/20 0.46
NEK1 Q96PY6 2/20 0.46
ABL1 P00519 2/20 0.45
PLCG1 P19174 1/20 0.44

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
SCHEMBL11968619 0.87 RIPK1 (0.54) CAMKK2RIPK1IGF1RAXLNEK1
SCHEMBL11968623 0.87 SGK1 (0.56) CAMKK2ITKPLK4DYRK1AAXL
SCHEMBL11968643 0.86 NTRK1 (0.60) BTKRIPK1IGF1RAXLNEK1
SCHEMBL11968622 0.86 IGF1R (0.53) RIPK1IGF1RAXLNEK1ABL1
SCHEMBL11968613 0.86 NEK1 (0.58) PIK3CADYRK1ANEK1ABL1PLCG1
SCHEMBL11968620 0.84 RIPK1 (0.55) RIPK1IGF1RDYRK1AAXLNEK1
SCHEMBL11968642 0.84 NEK1 (0.61) PIK3CAAXLNEK1ABL1PLCG1
SCHEMBL14041350 0.83 AXL (0.46) CAMKK2RIPK1IGF1RAXLNEK1
SCHEMBL11968628 0.83 NTRK1 (0.56) PIK3CAAXLNEK1ABL1PLCG1
SCHEMBL11968621 0.83 NEK1 (0.53) CAMKK2DYRK1AAXLNEK1ABL1

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 5 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
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 CAMKK2 82/4885PIK3CA 75/4885BTK 178/4885

“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.