SCHEMBL11968601

SCHEMBL11968601

COc1ccccc1-c1n[nH]c2ncc(-c3cccc(CO)c3)cc12

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
FYN P06241 4/20 0.52
CDK8 P49336 1/20 0.46
AAK1 Q2M2I8 1/20 0.44
CHEK1 O14757 1/20 0.44
HTR7 P34969 2/20 0.43
BCL2L2 Q92843 1/20 0.43
MAP2K4 P45985 1/20 0.42
FGFR1 P11362 1/20 0.41
FGFR2 P21802 1/20 0.41
NEK1 Q96PY6 1/20 0.41
ABL1 P00519 1/20 0.40
TLR8 Q9NR97 1/20 0.40
TLR7 Q9NYK1 1/20 0.40
MAP4K1 Q92918 1/20 0.40
KIT P10721 1/20 0.40

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
SCHEMBL3488262 0.86 ABL1 (0.46) FYNAAK1HTR7BCL2L2NEK1
SCHEMBL3375853 0.84 DRD4 (0.53) CHEK1HTR7BCL2L2MAP4K1
SCHEMBL4364255 0.84 FGFR2 (0.46) FYNCDK8AAK1FGFR2NEK1
SCHEMBL12343730 0.83 PDGFRB (0.50) AAK1ABL1KIT
SCHEMBL3371495 0.82 NEK1 (0.60) FYNCDK8AAK1CHEK1FGFR1
SCHEMBL11968602 0.82 CDK8 (0.48) CDK8AAK1FGFR2NEK1ABL1
SCHEMBL3373289 0.82 AXL (0.55) FYNAAK1CHEK1MAP2K4FGFR1
SCHEMBL3375663 0.82 NEK1 (0.44) AAK1NEK1ABL1MAP4K1KIT
SCHEMBL11968603 0.82 CDK8 (0.48) CDK8AAK1FGFR2NEK1ABL1
SCHEMBL3490388 0.82 AAK1 (0.45) AAK1CHEK1ABL1MAP4K1KIT

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 FYN 343/4885CDK8 107/4885AAK1 265/4885

“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.