SCHEMBL18630763

SCHEMBL18630763

CC(C)(C)OC(=O)N1CCN(c2ccc(NCCCO)c([N+](=O)[O-])c2)C(=O)C1

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ BCL2 P10415 2/20 0.48
▸ BCL2L1 Q07817 1/20 0.48
▸ MAPT P10636 11/20 0.45
▸ KMT2A Q03164 4/20 0.45
▸ SMN1; SMN2 Q16637 4/20 0.45
▸ ALDH1A1 P00352 9/20 0.43
▸ LMNA P02545 2/20 0.43
▸ MEN1 O00255 3/20 0.43
▸ POLB P06746 2/20 0.43
▸ MAPK1 P28482 3/20 0.40
▸ TDP1 Q9NUW8 1/20 0.40
▸ HCAR3 P49019 2/20 0.39
▸ HTT P42858 1/20 0.38
▸ KDM4E B2RXH2 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
SCHEMBL18630958 0.90 BCL2L1 (0.47) BCL2BCL2L1MAPTKMT2ASMN1; SMN2
SCHEMBL31129949 0.81 ALDH1A1 (0.51) MAPTKMT2ASMN1; SMN2ALDH1A1LMNA
SCHEMBL18630915 0.80 MAPT (0.50) BCL2BCL2L1MAPTKMT2ASMN1; SMN2
SCHEMBL18642009 0.79 KMT2A (0.49) BCL2BCL2L1MAPTKMT2ASMN1; SMN2
SCHEMBL18642011 0.79 KMT2A (0.49) BCL2BCL2L1MAPTKMT2ASMN1; SMN2
SCHEMBL31347224 0.78 MAPT (0.50) BCL2BCL2L1MAPTKMT2ASMN1; SMN2
SCHEMBL3311487 0.77 LMNA (0.50) MAPTKMT2ASMN1; SMN2ALDH1A1LMNA
SCHEMBL18631299 0.77 PTGER4 (0.37) BCL2BCL2L1MAPTALDH1A1LMNA
SCHEMBL29246422 0.76 ALDH1A1 (0.46) MAPTSMN1; SMN2ALDH1A1LMNAPOLB
SCHEMBL18630658 0.75 MAPT (0.60) MAPTKMT2ASMN1; SMN2ALDH1A1LMNA

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 BCL2 2167/4885BCL2L1 1372/4885MAPT 2476/4885
US-20170081317-A1 HETEROARYL COMPOUNDS AS IRAK INHIBITORS AND USES THEREOF IRAK2, IRAK3, IRAK1 BCL2 2167/4885BCL2L1 1372/4885MAPT 2476/4885
US-10392375-B2 Heteroaryl compounds as IRAK inhibitors and uses thereof IRAK2, IRAK3, IRAK1 BCL2 2167/4885BCL2L1 1372/4885MAPT 2476/4885
US-10059701-B2 Heteroaryl compounds as IRAK inhibitors and uses thereof IRAK2, IRAK3, IRAK1 BCL2 2167/4885BCL2L1 1372/4885MAPT 2476/4885

“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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