SCHEMBL11968552

SCHEMBL11968552

COc1ccccc1-c1nn(COC(=O)C(C)(C)C)c2ncc(-c3cccc(C(O)c4nccn4C)c3)cc12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 8/20 0.40
KDM4E B2RXH2 1/20 0.36
KMT2A Q03164 2/20 0.35
MEN1 O00255 1/20 0.35
FGB P02675 1/20 0.35
ALOX15 P16050 1/20 0.35
TNNI3 P19429 1/20 0.35
MAPK1 P28482 1/20 0.35
CASP1 P29466 1/20 0.35
BRCA1 P38398 1/20 0.35
TNNT2 P45379 1/20 0.35
CASP7 P55210 1/20 0.35
TNNC1 P63316 1/20 0.35
KEAP1 Q14145 1/20 0.35
NFE2L2 Q16236 1/20 0.35
HSD17B10 Q99714 1/20 0.35
CTSA P10619 1/20 0.34
CD274 Q9NZQ7 1/20 0.33
MAPT P10636 1/20 0.33
MERTK Q12866 1/20 0.32

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
SCHEMBL5065350 0.88 CTSA (0.35) CTSAMERTK
SCHEMBL11968551 0.85 MAOB (0.34) CTSAMAPTMERTK
SCHEMBL5067392 0.84 HCRTR1 (0.36) CTSAMERTK
SCHEMBL11968554 0.76 KDM4E (0.43) FFAR1KDM4EKMT2AMEN1FGB
SCHEMBL3490148 0.76 MERTK (0.38) MERTK
SCHEMBL3488673 0.74 MAP4K1 (0.56) MAPK1HSD17B10
SCHEMBL5065351 0.74 FABP3 (0.42) CTSA
SCHEMBL11968506 0.73 ABL1 (0.50)
SCHEMBL5064598 0.72 FABP3 (0.38) CTSAMERTK
SCHEMBL5068689 0.72 MAOB (0.36) HSD17B10CTSAMERTK

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 2 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-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 FFAR1 2356/4885KDM4E 1048/4885KMT2A 1079/4885

“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.