SCHEMBL18631232

SCHEMBL18631232

CC(=O)OCCCNc1ccc(N2CCOC(C)(C)C2=O)cc1[N+](=O)[O-]

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 2/20 0.47
▸ MAPT P10636 10/20 0.45
▸ ALDH1A1 P00352 4/20 0.45
▸ POLB P06746 3/20 0.43
▸ MEN1 O00255 1/20 0.43
▸ KDM4E B2RXH2 2/20 0.42
▸ PKM P14618 2/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ LMNA P02545 2/20 0.39
▸ HCAR3 P49019 3/20 0.39
▸ AGTR1 P30556 1/20 0.38
▸ NTSR1 P30989 1/20 0.38
▸ HTT P42858 1/20 0.38
▸ RAB9A P51151 2/20 0.38
▸ PTGER4 P35408 1/20 0.38
▸ MAPK1 P28482 1/20 0.38
▸ TDP1 Q9NUW8 1/20 0.38

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
SCHEMBL18630962 0.86 PTGER4 (0.40) KMT2AMAPTALDH1A1MEN1KDM4E
SCHEMBL18642009 0.79 KMT2A (0.49) KMT2AMAPTALDH1A1POLBMEN1
SCHEMBL18642011 0.79 KMT2A (0.49) KMT2AMAPTALDH1A1POLBMEN1
SCHEMBL18630958 0.76 BCL2L1 (0.47) KMT2AMAPTALDH1A1POLBMEN1
SCHEMBL18630806 0.73 MAPT (0.47) MAPTALDH1A1KDM4EPKMLMNA
SCHEMBL18631000 0.73 MAPT (0.51) KMT2AMAPTALDH1A1POLBMEN1
SCHEMBL9776288 0.71 MAPT (0.56) KMT2AMAPTALDH1A1POLBMEN1
SCHEMBL7179435 0.70 KAT2B (0.64) KMT2AMAPTALDH1A1POLBKDM4E
SCHEMBL9776267 0.70 KMT2A (0.62) KMT2AMAPTALDH1A1POLBMEN1
SCHEMBL18630658 0.69 MAPT (0.60) KMT2AMAPTALDH1A1POLBMEN1

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 KMT2A 855/4885MAPT 2476/4885ALDH1A1 2580/4885
US-20170081317-A1 HETEROARYL COMPOUNDS AS IRAK INHIBITORS AND USES THEREOF IRAK2, IRAK3, IRAK1 KMT2A 855/4885MAPT 2476/4885ALDH1A1 2580/4885
US-10392375-B2 Heteroaryl compounds as IRAK inhibitors and uses thereof IRAK2, IRAK3, IRAK1 KMT2A 855/4885MAPT 2476/4885ALDH1A1 2580/4885
US-10059701-B2 Heteroaryl compounds as IRAK inhibitors and uses thereof IRAK2, IRAK3, IRAK1 KMT2A 855/4885MAPT 2476/4885ALDH1A1 2580/4885

“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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