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SCHEMBL11968652

SCHEMBL11968652

COc1ccc(F)cc1-c1c[nH]c2ncc(-c3cncc(C(O)C(=O)N(C)C)c3)cc12

nearest known ligand 0.60

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ ABL1 P00519 3/20 0.60
▸ KIT P10721 7/20 0.51
▸ MAP4K1 Q92918 2/20 0.50
▸ MAP3K11 Q16584 2/20 0.48
▸ PIK3CA P42336 2/20 0.46
▸ NTRK1 P04629 1/20 0.46
▸ LRRK2 Q5S007 1/20 0.46
▸ DYRK1A Q13627 2/20 0.45
▸ AAK1 Q2M2I8 1/20 0.45
▸ BTK Q06187 2/20 0.44
▸ ITK Q08881 2/20 0.44
▸ CLK1 P49759 1/20 0.44
▸ SLC2A1 P11166 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
SCHEMBL11968543 0.91 ABL1 (0.72) ABL1KITMAP4K1MAP3K11PIK3CA
SCHEMBL4374487 0.91 ABL1 (0.72) ABL1KITMAP4K1MAP3K11PIK3CA
SCHEMBL5060932 0.91 ABL1 (0.72) ABL1KITMAP4K1MAP3K11PIK3CA
SCHEMBL11968653 0.88 ABL1 (0.50) ABL1KITMAP4K1MAP3K11PIK3CA
SCHEMBL11968626 0.87 CLK1 (0.53) ABL1KITMAP3K11DYRK1ACLK1
SCHEMBL11968636 0.84 ABL1 (0.54) ABL1MAP4K1MAP3K11BTKITK
SCHEMBL11968618 0.84 DYRK1A (0.55) ABL1KITMAP3K11PIK3CANTRK1
SCHEMBL11968547 0.83 ABL1 (0.66) ABL1KITMAP4K1MAP3K11PIK3CA
SCHEMBL11968639 0.83 ABL1 (0.58) ABL1MAP4K1MAP3K11
SCHEMBL11968546 0.83 ABL1 (0.65) ABL1KITMAP4K1MAP3K11PIK3CA

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 ABL1 110/4885KIT 757/4885MAP4K1 17/4885

“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.