SCHEMBL18630792

SCHEMBL18630792

CC(=O)OCCCn1c(=NC(=O)c2cccc(C(F)(F)F)c2)[nH]c2cc(N3CCNCC3=O)ccc21

nearest known ligand 0.37

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ CNR2 P34972 13/20 0.37
▸ CNR1 P21554 4/20 0.37
▸ MAPT P10636 1/20 0.33
▸ CYP1A2 P05177 1/20 0.33
▸ CYP3A4 P08684 1/20 0.33
▸ GAA P10253 1/20 0.33
▸ CYP2C19 P33261 1/20 0.33
▸ KARS1 Q15046 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
SCHEMBL18630790 1.00 CNR2 (0.37) CNR2CNR1MAPTCYP1A2CYP3A4
SCHEMBL23618010 0.93 CNR2 (0.41) CNR2CNR1MAPT
SCHEMBL18631189 0.90 CNR2 (0.38) CNR2CNR1MAPTGAAKARS1
SCHEMBL18631188 0.90 CNR2 (0.38) CNR2CNR1MAPTGAAKARS1
SCHEMBL18650882 0.89 — —
SCHEMBL18641974 0.88 CNR2 (0.37) CNR2CNR1MAPTCYP1A2CYP3A4
SCHEMBL18631271 0.88 CNR2 (0.38) CNR2CNR1MAPTCYP1A2CYP3A4
SCHEMBL18631272 0.88 CNR2 (0.38) CNR2CNR1MAPTCYP1A2CYP3A4
SCHEMBL18641975 0.88 CNR2 (0.37) CNR2CNR1MAPTCYP1A2CYP3A4
SCHEMBL18631252 0.88 CNR2 (0.38) CNR2CNR1CYP1A2CYP3A4GAA

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 CNR2 3727/4885CNR1 3441/4885MAPT 2476/4885
US-20170081317-A1 HETEROARYL COMPOUNDS AS IRAK INHIBITORS AND USES THEREOF IRAK2, IRAK3, IRAK1 CNR2 3727/4885CNR1 3441/4885MAPT 2476/4885
US-10392375-B2 Heteroaryl compounds as IRAK inhibitors and uses thereof IRAK2, IRAK3, IRAK1 CNR2 3727/4885CNR1 3441/4885MAPT 2476/4885
US-10059701-B2 Heteroaryl compounds as IRAK inhibitors and uses thereof IRAK2, IRAK3, IRAK1 CNR2 3727/4885CNR1 3441/4885MAPT 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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