SCHEMBL11968643

SCHEMBL11968643

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

nearest known ligand 0.60

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
NTRK1 P04629 1/20 0.60
KIT P10721 1/20 0.55
PLCG1 P19174 4/20 0.49
ABL1 P00519 1/20 0.49
AXL P30530 4/20 0.48
MAP3K11 Q16584 2/20 0.48
NEK1 Q96PY6 4/20 0.48
IGF1R P08069 1/20 0.46
RIPK1 Q13546 1/20 0.46
BTK Q06187 1/20 0.46

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 0.90 RIPK1 (0.54) NTRK1KITPLCG1ABL1AXL
SCHEMBL11968633 0.90 MAPK8 (0.54) NTRK1KITABL1AXLMAP3K11
SCHEMBL11968623 0.89 SGK1 (0.56) NTRK1ABL1AXLMAP3K11NEK1
SCHEMBL11968622 0.89 IGF1R (0.53) NTRK1PLCG1ABL1AXLMAP3K11
SCHEMBL11968613 0.89 NEK1 (0.58) NTRK1KITPLCG1ABL1MAP3K11
SCHEMBL11968632 0.86 CAMKK2 (0.59) PLCG1ABL1AXLNEK1IGF1R
SCHEMBL11968642 0.86 NEK1 (0.61) NTRK1KITPLCG1ABL1AXL
SCHEMBL11968620 0.86 RIPK1 (0.55) AXLNEK1IGF1RRIPK1
SCHEMBL14041350 0.86 AXL (0.46) NTRK1PLCG1ABL1AXLMAP3K11
SCHEMBL11968628 0.85 NTRK1 (0.56) NTRK1KITPLCG1ABL1AXL

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 NTRK1 623/4885KIT 757/4885PLCG1 775/4885

“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.