SCHEMBL19875239

SCHEMBL19875239

CC(C)(C)OC(=O)NCCOc1ccn2ncc(C(=O)O)c2n1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADORA3 P0DMS8 2/20 0.46
▸ ADORA2A P29274 2/20 0.46
▸ IRAK4 Q9NWZ3 1/20 0.46
▸ JAK2 O60674 3/20 0.43
▸ NTRK1 P04629 3/20 0.43
▸ CA12 O43570 3/20 0.42
▸ CA1 P00915 3/20 0.42
▸ CA2 P00918 3/20 0.42
▸ CA9 Q16790 3/20 0.42
▸ SCN9A Q15858 1/20 0.41
▸ CKS1B P61024 1/20 0.41
▸ SKP1 P63208 1/20 0.41
▸ SKP2 Q13309 1/20 0.41
▸ PCSK9 Q8NBP7 1/20 0.39
▸ IDO1 P14902 1/20 0.39
▸ CSNK2A2 P19784 1/20 0.38
▸ CSNK2A1 P68400 1/20 0.38
▸ STK17B O94768 1/20 0.38
▸ STK17A Q9UEE5 1/20 0.38
▸ CSNK1D P48730 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
SCHEMBL19875166 0.89 ADORA3 (0.48) ADORA3ADORA2AIRAK4JAK2NTRK1
SCHEMBL15891391 0.84 CA12 (0.45) ADORA3ADORA2AIRAK4JAK2NTRK1
SCHEMBL18386990 0.83 ADORA3 (0.49) ADORA3ADORA2AIRAK4JAK2NTRK1
SCHEMBL19875183 0.81 IRAK4 (0.76) IRAK4
SCHEMBL19875194 0.81 JAK2 (0.45) ADORA3ADORA2AIRAK4JAK2NTRK1
SCHEMBL16936088 0.77 NTRK1 (0.44) ADORA3ADORA2AJAK2NTRK1SCN9A
SCHEMBL15891392 0.77 FYN (0.45) JAK2NTRK1CA12CA1CA2
SCHEMBL16935995 0.75 SCN9A (0.41) ADORA3ADORA2AIRAK4JAK2NTRK1
SCHEMBL24858710 0.75 MAPT (0.54) ADORA3ADORA2ACA12CA1CA2
SCHEMBL14848202 0.74 TDP1 (0.45) CA1CA2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3268367-B1 CARBOXAMIDE INHIBITORS OF IRAK4 ACTIVITY MERCK SHARP & DOHME (US) 2022-10-05 — — EP disclosed
US-10155765-B2 Carboxamide inhibitors of IRAK4 activity MERCK SHARP & DOHME CORP. (US) 2018-12-18 — — US disclosed
US-20180051027-A1 CARBOXAMIDE INHIBITORS OF IRAK4 ACTIVITY MERCK SHARP & DOHME CORP. (US) 2018-02-22 — — 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 (2 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-20180051027-A1 CARBOXAMIDE INHIBITORS OF IRAK4 ACTIVITY IRAK4, IRAK2, IRAK1 ADORA3 2785/4885ADORA2A 2968/4885IRAK4 1/4885
US-10155765-B2 Carboxamide inhibitors of IRAK4 activity IRAK4, IRAK2, IRAK1 ADORA3 2785/4885ADORA2A 2968/4885IRAK4 1/4885

“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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