SCHEMBL18630958

SCHEMBL18630958

CC(=O)OCCCNc1ccc(N2CCN(C(=O)OC(C)(C)C)CC2=O)cc1[N+](=O)[O-]

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BCL2L1 Q07817 2/20 0.47
▸ BCL2 P10415 1/20 0.47
▸ KMT2A Q03164 5/20 0.47
▸ MAPT P10636 11/20 0.43
▸ ALDH1A1 P00352 8/20 0.43
▸ MEN1 O00255 4/20 0.42
▸ POLB P06746 2/20 0.42
▸ SMN1; SMN2 Q16637 3/20 0.41
▸ LMNA P02545 2/20 0.41
▸ MAPK1 P28482 3/20 0.38
▸ KDM4E B2RXH2 1/20 0.38
▸ TDP1 Q9NUW8 1/20 0.38
▸ HCAR3 P49019 3/20 0.37
▸ HTT P42858 2/20 0.36
▸ AGTR1 P30556 1/20 0.36
▸ NTSR1 P30989 1/20 0.36
▸ MITF O75030 1/20 0.36
▸ HPGD P15428 1/20 0.36
▸ XBP1 P17861 1/20 0.36
▸ BLM P54132 1/20 0.36

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
SCHEMBL18630763 0.90 BCL2 (0.48) BCL2L1BCL2KMT2AMAPTALDH1A1
SCHEMBL18642011 0.90 KMT2A (0.49) BCL2L1BCL2KMT2AMAPTALDH1A1
SCHEMBL18642009 0.90 KMT2A (0.49) BCL2L1BCL2KMT2AMAPTALDH1A1
SCHEMBL18631299 0.88 PTGER4 (0.37) BCL2L1BCL2MAPTALDH1A1LMNA
SCHEMBL31129949 0.78 ALDH1A1 (0.51) KMT2AMAPTALDH1A1MEN1SMN1; SMN2
SCHEMBL18630915 0.77 MAPT (0.50) BCL2L1BCL2KMT2AMAPTALDH1A1
SCHEMBL18631232 0.76 KMT2A (0.47) KMT2AMAPTALDH1A1MEN1POLB
SCHEMBL31347224 0.75 MAPT (0.50) BCL2L1BCL2KMT2AMAPTALDH1A1
SCHEMBL3311487 0.74 LMNA (0.50) KMT2AMAPTALDH1A1MEN1SMN1; SMN2
SCHEMBL18630715 0.74 HTT (0.45) KMT2AMAPTALDH1A1POLBSMN1; SMN2

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 BCL2L1 1372/4885BCL2 2167/4885KMT2A 855/4885
US-20170081317-A1 HETEROARYL COMPOUNDS AS IRAK INHIBITORS AND USES THEREOF IRAK2, IRAK3, IRAK1 BCL2L1 1372/4885BCL2 2167/4885KMT2A 855/4885
US-10392375-B2 Heteroaryl compounds as IRAK inhibitors and uses thereof IRAK2, IRAK3, IRAK1 BCL2L1 1372/4885BCL2 2167/4885KMT2A 855/4885
US-10059701-B2 Heteroaryl compounds as IRAK inhibitors and uses thereof IRAK2, IRAK3, IRAK1 BCL2L1 1372/4885BCL2 2167/4885KMT2A 855/4885

“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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