SCHEMBL19829246

SCHEMBL19829246

CC(C)C[C@H](O)C(=O)N1CCC[C@@H](n2nc(-c3ccc(Oc4ccccc4)cc3)c3c(N)ncnc32)C1

nearest known ligand 0.86

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BTK Q06187 20/20 0.86
▸ FLT3 P36888 2/20 0.72
▸ KIT P10721 1/20 0.72
▸ EGFR P00533 4/20 0.71
▸ ITK Q08881 3/20 0.71
▸ LCK P06239 2/20 0.71
▸ TEC P42680 3/20 0.71
▸ BMX P51813 3/20 0.71
▸ TXK P42681 2/20 0.71
▸ LYN P07948 2/20 0.71
▸ FGFR2 P21802 2/20 0.71
▸ RIPK2 O43353 1/20 0.71
▸ NR1I2 O75469 1/20 0.71
▸ SLC22A3 O75751 1/20 0.71
▸ LATS1 O95835 1/20 0.71
▸ NUDT14 O95848 1/20 0.71
▸ ABL1 P00519 1/20 0.71
▸ ERBB2 P04626 1/20 0.71
▸ FYN P06241 1/20 0.71
▸ PGR P06401 1/20 0.71

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
SCHEMBL19813125 1.00 BTK (0.86) BTKFLT3KITEGFRITK
SCHEMBL19813126 1.00 BTK (0.86) BTKFLT3KITEGFRITK
SCHEMBL30615724 0.93 BTK (1.00) BTKFLT3KITEGFRITK
SCHEMBL19638144 0.93 BTK (1.00) BTKFLT3KITEGFRITK
SCHEMBL19638145 0.93 BTK (1.00) BTKFLT3KITEGFRITK
SCHEMBL23223129 0.93 BTK (1.00) BTKFLT3KITEGFRITK
SCHEMBL30615734 0.93 BTK (1.00) BTKFLT3KITEGFRITK
SCHEMBL17951513 0.93 BTK (1.00) BTKFLT3KITEGFRITK
SCHEMBL13337309 0.92 BTK (0.84) BTKFLT3KITEGFRITK
SCHEMBL3362233 0.92 BTK (0.85) BTKFLT3KITEGFRITK

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10266535-B2 Inhibitor of FLT3 kinase and use thereof HEFEI INSTITUTES OF PHYSICAL SCIENCE, CHINESE ACADEMY OF SCIENCES (CN) 2019-04-23 — — US disclosed
US-20180030054-A1 NOVEL INHIBITOR OF FLT3 KINASE AND USE THEREOF HEFEI INSTITUTES OF PHYSICAL SCIENCE, CHINESE ACADEMY OF SCIENCES (CN) 2018-02-01 — — US disclosed
US-20180030054-A1 NOVEL INHIBITOR OF FLT3 KINASE AND USE THEREOF HEFEI INSTITUTES OF PHYSICAL SCIENCE, CHINESE ACADEMY OF SCIENCES (CN) 2018-02-01 — — 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 (2 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-20180030054-A1 NOVEL INHIBITOR OF FLT3 KINASE AND USE THEREOF FLT3, FLT1, FGFR1 BTK 32/4885FLT3 1/4885KIT 25/4885
US-10266535-B2 Inhibitor of FLT3 kinase and use thereof FLT3, FLT1, FGFR1 BTK 35/4885FLT3 1/4885KIT 29/4885

“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.

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