SCHEMBL18631256

SCHEMBL18631256

CC(=O)OCCCn1/c(=N\C(=O)c2cccc(C(F)(F)F)c2)[nH]c2cc(N3CCN(C(=O)OC(C)(C)C)CC3=O)ccc21

nearest known ligand 0.35

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ CNR2 P34972 13/20 0.35
▸ CNR1 P21554 4/20 0.35
▸ HRH3 Q9Y5N1 2/20 0.33
▸ RXFP1 Q9HBX9 1/20 0.33
▸ MAPT P10636 2/20 0.32
▸ HRH1 P35367 1/20 0.32
▸ KCNH2 Q12809 1/20 0.32
▸ TP53 P04637 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
SCHEMBL18631259 1.00 CNR2 (0.35) CNR2CNR1HRH3RXFP1MAPT
SCHEMBL18631258 1.00 CNR2 (0.35) CNR2CNR1HRH3RXFP1MAPT
SCHEMBL18641975 0.93 CNR2 (0.37) CNR2CNR1HRH3MAPTHRH1
SCHEMBL18641974 0.93 CNR2 (0.37) CNR2CNR1HRH3MAPTHRH1
SCHEMBL18630792 0.85 CNR2 (0.37) CNR2CNR1MAPT
SCHEMBL18630790 0.85 CNR2 (0.37) CNR2CNR1MAPT
SCHEMBL18631271 0.85 CNR2 (0.38) CNR2CNR1MAPT
SCHEMBL18631272 0.85 CNR2 (0.38) CNR2CNR1MAPT
SCHEMBL18631252 0.83 CNR2 (0.38) CNR2CNR1
SCHEMBL18631255 0.83 CNR2 (0.38) CNR2CNR1

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 5 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
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 CNR2 3727/4885CNR1 3441/4885HRH3 2717/4885
US-20170081317-A1 HETEROARYL COMPOUNDS AS IRAK INHIBITORS AND USES THEREOF IRAK2, IRAK3, IRAK1 CNR2 3727/4885CNR1 3441/4885HRH3 2717/4885
US-10392375-B2 Heteroaryl compounds as IRAK inhibitors and uses thereof IRAK2, IRAK3, IRAK1 CNR2 3727/4885CNR1 3441/4885HRH3 2717/4885
US-10059701-B2 Heteroaryl compounds as IRAK inhibitors and uses thereof IRAK2, IRAK3, IRAK1 CNR2 3727/4885CNR1 3441/4885HRH3 2717/4885

“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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