SCHEMBL18630962

SCHEMBL18630962

CC(=O)OCCCNc1ccc(N2CCOC(C)(C)C2=O)cc1N

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTGER4 P35408 3/20 0.40
▸ PIK3CD O00329 5/20 0.35
▸ PIK3CA P42336 3/20 0.35
▸ PIK3CG P48736 3/20 0.35
▸ MAPT P10636 4/20 0.34
▸ ALDH1A1 P00352 2/20 0.34
▸ KDM4E B2RXH2 1/20 0.34
▸ GAA P10253 1/20 0.34
▸ HSD17B10 Q99714 1/20 0.34
▸ KMT2A Q03164 3/20 0.32
▸ MEN1 O00255 2/20 0.32
▸ NPSR1 Q6W5P4 2/20 0.32
▸ APP P05067 1/20 0.32
▸ THRB P10828 1/20 0.32
▸ TSHR P16473 1/20 0.32
▸ MAPK1 P28482 1/20 0.32
▸ SNCA P37840 1/20 0.32
▸ BRCA1 P38398 1/20 0.32
▸ L3MBTL1 Q9Y468 1/20 0.32
▸ AGTR1 P30556 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
SCHEMBL18631232 0.86 KMT2A (0.47) PTGER4MAPTALDH1A1KDM4EKMT2A
SCHEMBL18631299 0.73 PTGER4 (0.37) PTGER4MAPTALDH1A1
SCHEMBL18630747 0.71 PTGER4 (0.51) PTGER4MAPTALDH1A1KDM4EGAA
SCHEMBL7191231 0.69 PTGER4 (0.48) PTGER4MAPTALDH1A1KDM4EGAA
SCHEMBL18630688 0.67 F10 (0.40) F10
SCHEMBL18630712 0.66 ALDH1A1 (0.46) MAPTALDH1A1F10
SCHEMBL18631069 0.65 PTGER4 (0.44) PTGER4MAPTALDH1A1KDM4EGAA
SCHEMBL18631267 0.65 CMA1 (0.35) F10
SCHEMBL18631265 0.65 CMA1 (0.35) F10
SCHEMBL18642009 0.64 KMT2A (0.49) PTGER4MAPTALDH1A1KDM4EKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3350177-B1 HETEROARYL COMPOUNDS AS IRAK INHIBITORS AND USES THEREOF MERCK PATENT GMBH (DE) 2021-07-07 — — EP disclosed
US-10392375-B2 Heteroaryl compounds as IRAK inhibitors and uses thereof MERCK PATENT GMBH (DE) 2019-08-27 — — US disclosed
US-10059701-B2 Heteroaryl compounds as IRAK inhibitors and uses thereof MERCK PATENT GMBH (DE) 2018-08-28 — — US disclosed
US-20180237426-A1 HETEROARYL COMPOUNDS AS IRAK INHIBITORS AND USES THEREOF MERCK PATENT GMBH (DE) 2018-08-23 — — US disclosed
EP-3350177-A1 HETEROARYL COMPOUNDS AS IRAK INHIBITORS AND USES THEREOF Merck Patent GmbH (DE) 2018-07-25 — — EP disclosed
WO-2017049068-A1 HETEROARYL COMPOUNDS AS IRAK INHIBITORS AND USES THEREOF MERCK PATENT GMBH (DE) 2017-03-23 — — WO disclosed
US-20170081317-A1 HETEROARYL COMPOUNDS AS IRAK INHIBITORS AND USES THEREOF MERCK PATENT GMBH (DE) 2017-03-23 — — 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 (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-20180237426-A1 HETEROARYL COMPOUNDS AS IRAK INHIBITORS AND USES THEREOF IRAK2, IRAK3, IRAK1 PTGER4 4323/4885PIK3CD 137/4885PIK3CA 117/4885
US-20170081317-A1 HETEROARYL COMPOUNDS AS IRAK INHIBITORS AND USES THEREOF IRAK2, IRAK3, IRAK1 PTGER4 4323/4885PIK3CD 137/4885PIK3CA 117/4885
US-10392375-B2 Heteroaryl compounds as IRAK inhibitors and uses thereof IRAK2, IRAK3, IRAK1 PTGER4 4323/4885PIK3CD 137/4885PIK3CA 117/4885
US-10059701-B2 Heteroaryl compounds as IRAK inhibitors and uses thereof IRAK2, IRAK3, IRAK1 PTGER4 4323/4885PIK3CD 137/4885PIK3CA 117/4885

“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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