SCHEMBL17951807

SCHEMBL17951807

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

nearest known ligand 0.84

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BTK Q06187 19/20 0.84
▸ FLT3 P36888 2/20 0.81
▸ KIT P10721 1/20 0.81
▸ EGFR P00533 5/20 0.75
▸ ITK Q08881 3/20 0.75
▸ LCK P06239 2/20 0.75
▸ TEC P42680 3/20 0.75
▸ BMX P51813 3/20 0.75
▸ TXK P42681 2/20 0.75
▸ LYN P07948 2/20 0.75
▸ FGFR2 P21802 2/20 0.75
▸ BLK P51451 2/20 0.75
▸ RIPK2 O43353 1/20 0.75
▸ NR1I2 O75469 1/20 0.75
▸ SLC22A3 O75751 1/20 0.75
▸ LATS1 O95835 1/20 0.75
▸ NUDT14 O95848 1/20 0.75
▸ ABL1 P00519 1/20 0.75
▸ ERBB2 P04626 1/20 0.75
▸ FYN P06241 1/20 0.75

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
SCHEMBL19649286 1.00 BTK (0.84) BTKFLT3KITEGFRITK
SCHEMBL14576520 0.98 BTK (0.80) BTKFLT3KITEGFRITK
SCHEMBL17951884 0.94 BTK (0.89) BTKFLT3KITEGFRITK
SCHEMBL17951503 0.94 BTK (0.86) BTKFLT3KITEGFRITK
SCHEMBL11948322 0.94 BTK (0.86) BTKFLT3KITEGFRITK
SCHEMBL20204786 0.93 BTK (0.85) BTKFLT3KITEGFRITK
SCHEMBL22625356 0.93 BTK (0.85) BTKFLT3KITEGFRITK
SCHEMBL31615786 0.93 BTK (0.85) BTKFLT3KITEGFRITK
SCHEMBL3363036 0.93 BTK (0.85) BTKFLT3KITEGFRITK
SCHEMBL15613552 0.92 BTK (0.72) 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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220204516-A1 PROCESSES AND INTERMEDIATES FOR PREPARING A BTK INHIBITOR JANSSEN PHARMACEUTICA NV (BE) 2022-06-30 — — US disclosed
EP-3248979-B1 NOVEL INHIBITOR OF FLT3 KINASE AND USE THEREOF HEFEI INST PHYSICAL SCI CAS (CN) 2021-04-14 — — EP disclosed
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
EP-3248979-A1 NOVEL INHIBITOR OF FLT3 KINASE AND USE THEREOF Hefei Institutes of Physical Sicence, Chinese Academy of Sciences (CN) 2017-11-29 — — EP disclosed
US-20170305914-A1 ACID ADDITION SALT OF IBRUTINIB RATIOPHARM GMBH (DE) 2017-10-26 — — US disclosed
WO-2016115869-A1 NOVEL INHIBITOR OF FLT3 KINASE AND USE THEREOF 中国科学院合肥物质科学研究院 2016-07-28 — — 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 (4 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-20220204516-A1 PROCESSES AND INTERMEDIATES FOR PREPARING A BTK INHIBITOR BTK, SYK, LYN BTK 1/4885FLT3 8/4885KIT 1046/4885
US-20170305914-A1 ACID ADDITION SALT OF IBRUTINIB BTK, ABL1, SYK BTK 1/4885FLT3 13/4885KIT 755/4885
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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