SCHEMBL16084626

SCHEMBL16084626

CC(C)(C)OC(=O)NCCCOc1ccn2ncc(-c3cccc(NS(=O)(=O)c4ccccc4[N+](=O)[O-])c3)c2n1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 2/20 0.41
▸ RXFP1 Q9HBX9 1/20 0.40
▸ HSD17B1 P14061 2/20 0.39
▸ HSD17B2 P37059 2/20 0.39
▸ GAA P10253 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ RAB9A P51151 1/20 0.37
▸ AXL P30530 1/20 0.37
▸ RET P07949 1/20 0.36
▸ MET P08581 1/20 0.35
▸ FYN P06241 1/20 0.35
▸ ALOX5AP P20292 1/20 0.35
▸ FEN1 P39748 1/20 0.35
▸ NPY5R Q15761 2/20 0.35
▸ PKM P14618 1/20 0.35
▸ NR1I2 O75469 1/20 0.35
▸ FLT3 P36888 1/20 0.35
▸ PIK3CA P42336 1/20 0.35
▸ CDK7 P50613 1/20 0.35
▸ HIF1A Q16665 1/20 0.35

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
SCHEMBL16088283 0.86 CSNK2A1 (0.46) L3MBTL1RXFP1HSD17B1HSD17B2GAA
SCHEMBL16084590 0.84 FLT3 (0.34) METALOX5APFEN1FLT3PIK3CA
SCHEMBL16088273 0.82 CAMK2D (0.33) METALOX5APFEN1FLT3PIK3CA
SCHEMBL15891392 0.79 FYN (0.45) RETFYNPIM1
SCHEMBL14848202 0.79 TDP1 (0.45) RETFYN
SCHEMBL16154322 0.78 CSNK2A1 (0.59) L3MBTL1RXFP1HSD17B1HSD17B2GAA
SCHEMBL17483266 0.76 CSNK2A1 (0.47) L3MBTL1RXFP1HSD17B1HSD17B2GAA
SCHEMBL16154321 0.75 CSNK2A1 (0.49) L3MBTL1RXFP1HSD17B1HSD17B2GAA
SCHEMBL17483265 0.75 CSNK2A1 (0.43) L3MBTL1RXFP1HSD17B1HSD17B2GAA
SCHEMBL16088281 0.74 NPY5R (0.37) NPY5RFLT3PIK3CAPIM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2970333-B1 MACROCYCLIC LRRK2 KINASE INHIBITORS IPSEN PHARMA SAS (FR) 2017-05-03 — — EP disclosed
US-9586975-B2 Macrocyclic salt-inducible kinase inhibitors ONCODESIGN S.A. (FR) 2017-03-07 — — US disclosed
US-9586975-B2 Macrocyclic salt-inducible kinase inhibitors ONCODESIGN S.A. (FR) 2017-03-07 — — US disclosed
US-20160031905-A1 Macrocyclic LRRK2 Kinase Inhibitors ONCODESIGN S.A. (FR) 2016-02-04 — — US disclosed
US-20160031905-A1 Macrocyclic LRRK2 Kinase Inhibitors ONCODESIGN S.A. (FR) 2016-02-04 — — US disclosed
US-20160024113-A1 MACROCYCLIC SALT-INDUCIBLE KINASE INHIBITORS ONCODESIGN S.A. (FR) 2016-01-28 — — US disclosed
US-20160024113-A1 MACROCYCLIC SALT-INDUCIBLE KINASE INHIBITORS ONCODESIGN S.A. (FR) 2016-01-28 — — US disclosed
WO-2014140235-A1 MACROCYCLIC LRRK2 KINASE INHIBITORS IPSEN PHARMA S.A.S. (FR) 2014-09-18 — — WO disclosed
WO-2014140313-A1 MACROCYCLIC SALT-INDUCIBLE KINASE INHIBITORS ONCODESIGN S.A. (FR) 2014-09-18 — — 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 (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-20160024113-A1 MACROCYCLIC SALT-INDUCIBLE KINASE INHIBITORS SIK1, SIK3, SIK2 L3MBTL1 1789/4885RXFP1 3871/4885HSD17B1 1622/4885
US-20160031905-A1 Macrocyclic LRRK2 Kinase Inhibitors LRRK2, PINK1, PARK7 L3MBTL1 680/4885RXFP1 4432/4885HSD17B1 4323/4885

“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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