SCHEMBL18211757

SCHEMBL18211757

CC(C)(C)OC(=O)N(C(=O)OC(C)(C)C)c1ccc(C(O)c2c[nH]c3ncc(Cl)cc23)cn1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.39
S1PR3 Q99500 1/20 0.34
PDPK1 O15530 1/20 0.33
JAK2 O60674 1/20 0.33
SYK P43405 1/20 0.33
SGK1 O00141 1/20 0.32
MAP3K11 Q16584 1/20 0.31
BRAF P15056 4/20 0.31
TRPA1 O75762 1/20 0.31
BMPR1B O00238 1/20 0.30
PLK4 O00444 1/20 0.30
PIR O00625 1/20 0.30
AURKA O14965 1/20 0.30
DCLK1 O15075 1/20 0.30
EPHB6 O15197 1/20 0.30
RIPK2 O43353 1/20 0.30
STK16 O75716 1/20 0.30
OXSR1 O95747 1/20 0.30
MAP4K4 O95819 1/20 0.30
ABL1 P00519 1/20 0.30

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
SCHEMBL24594035 0.85 MAP2K1 (0.39) BRD4PDPK1JAK2PLK4ABL1
SCHEMBL3821880 0.82 CYP2C9 (0.42) BRD4LCKCSF1RPDGFRBKIT
SCHEMBL19829825 0.82 BRD4 (0.40) BRD4S1PR3JAK2TRPA1LCK
SCHEMBL18211756 0.82 MAP3K11 (0.47) BRD4JAK2MAP3K11BRAFBMPR1B
SCHEMBL19287905 0.80 BRD4 (0.43) BRD4JAK2MAP3K11BRAFLCK
SCHEMBL858686 0.79 BRD4 (0.34) BRD4
SCHEMBL12675104 0.77 SYK (0.31) PDPK1SYK
SCHEMBL15472398 0.76 SYK (0.31) SYK
SCHEMBL858112 0.75 LMNA (0.39) MAP2K1HIPK2CYP2C9CYP2C19
SCHEMBL858347 0.75 PIK3CA (0.39) BRD4PDPK1SGK1KITCLK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3581573-B1 SYNTHESIS OF A COMPOUND THAT MODULATES KINASES PLEXXIKON INC (US) 2022-07-06 EP disclosed
US-10730876-B2 Synthesis of a compound that modulates kinases PLEXXIKON INC. (US) 2020-08-04 US disclosed
US-20190337943-A1 SYNTHESIS OF A COMPOUND THAT MODULATES KINASES DAIICHI SANKYO, INC. 2019-11-07 US disclosed
US-10399975-B2 Synthesis of a compound that modulates kinases PLEXXIKON INC. (US) 2019-09-03 US disclosed
US-10040792-B2 Synthesis of a compound that modulates kinases PLEXXIKON INC. (US) 2018-08-07 US disclosed
US-10040792-B2 Synthesis of a compound that modulates kinases PLEXXIKON INC. (US) 2018-08-07 US disclosed
US-20170334909-A1 SYNTHESIS OF A COMPOUND THAT MODULATES KINASES DAIICHI SANKYO, INC. 2017-11-23 US disclosed
US-20170334909-A1 SYNTHESIS OF A COMPOUND THAT MODULATES KINASES DAIICHI SANKYO, INC. 2017-11-23 US disclosed
US-9802932-B2 Solid forms of a compound modulating kinases PLEXXIKON INC. (US) 2017-10-31 US disclosed
US-9802932-B2 Solid forms of a compound modulating kinases PLEXXIKON INC. (US) 2017-10-31 US disclosed
US-9745298-B2 Synthesis of a compound that modulates kinases PLEXXIKON INC. (US) 2017-08-29 US disclosed
US-9745298-B2 Synthesis of a compound that modulates kinases PLEXXIKON INC. (US) 2017-08-29 US disclosed
US-20160326169-A1 SYNTHESIS OF A COMPOUND THAT MODULATES KINASES DAIICHI SANKYO, INC. 2016-11-10 US disclosed
US-20160326169-A1 SYNTHESIS OF A COMPOUND THAT MODULATES KINASES DAIICHI SANKYO, INC. 2016-11-10 US disclosed
WO-2016179412-A1 SYNTHESIS OF 1 H-PYRROLO[2,3-B]PYRIDIN DERIVATIVES THAT MODULATE KINASES PLEXXIKON INC. (US) 2016-11-10 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 (6 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-10730876-B2 Synthesis of a compound that modulates kinases FLT3, KIT, MAP3K1 BRD4 1088/4885S1PR3 1296/4885PDPK1 135/4885
US-20190337943-A1 SYNTHESIS OF A COMPOUND THAT MODULATES KINASES FLT3, KIT, MAP3K1 BRD4 1088/4885S1PR3 1296/4885PDPK1 135/4885
US-10399975-B2 Synthesis of a compound that modulates kinases FLT3, KIT, MAP3K1 BRD4 1088/4885S1PR3 1296/4885PDPK1 135/4885
US-10040792-B2 Synthesis of a compound that modulates kinases FLT3, KIT, MAP3K1 BRD4 1088/4885S1PR3 1296/4885PDPK1 135/4885
US-20170334909-A1 SYNTHESIS OF A COMPOUND THAT MODULATES KINASES FLT3, KIT, MAP3K1 BRD4 1088/4885S1PR3 1296/4885PDPK1 135/4885
US-20160326169-A1 SYNTHESIS OF A COMPOUND THAT MODULATES KINASES FLT3, KIT, MAP3K1 BRD4 1088/4885S1PR3 1296/4885PDPK1 135/4885

“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.