SCHEMBL19096978

SCHEMBL19096978

COC(=O)c1ccc(N2CCN(C(=O)OC(C)(C)C)C(C)(C)C2)cc1F

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ NR1H2 P55055 5/20 0.43
▸ NR1H3 Q13133 5/20 0.43
▸ USP30 Q70CQ3 5/20 0.38
▸ PDK2 Q15119 1/20 0.38
▸ ALDH1A1 P00352 2/20 0.37
▸ MAPT P10636 2/20 0.37
▸ LMNA P02545 1/20 0.37
▸ ALK Q9UM73 1/20 0.36
▸ NTRK1 P04629 1/20 0.36
▸ SIRT6 Q8N6T7 1/20 0.36
▸ KDM4E B2RXH2 1/20 0.36
▸ MMP2 P08253 1/20 0.35
▸ MMP13 P45452 1/20 0.35
▸ MMP14 P50281 1/20 0.35
▸ ADAMTS5 Q9UNA0 1/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ MGLL Q99685 1/20 0.35

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
SCHEMBL19096961 0.89 NR1H2 (0.44) NR1H2NR1H3USP30PDK2ALDH1A1
SCHEMBL17385247 0.88 NR1H2 (0.46) NR1H2NR1H3USP30PDK2ALDH1A1
SCHEMBL17385177 0.88 NR1H2 (0.43) NR1H2NR1H3PDK2ALDH1A1MAPT
SCHEMBL31111837 0.84 NR1H2 (0.46) NR1H2NR1H3PDK2ALDH1A1MAPT
SCHEMBL30635280 0.82 MAPT (0.52) NR1H2NR1H3USP30PDK2ALDH1A1
SCHEMBL21934545 0.82 MAPT (0.52) NR1H2NR1H3USP30PDK2ALDH1A1
SCHEMBL30635237 0.80 EGLN2 (0.44) NR1H2NR1H3USP30PDK2ALK
SCHEMBL21876930 0.80 EGLN2 (0.44) NR1H2NR1H3USP30PDK2ALK
SCHEMBL17385249 0.79 NR1H2 (0.45) NR1H2NR1H3PDK2ALDH1A1MAPT
SCHEMBL31111889 0.79 NR1H2 (0.42) NR1H2NR1H3USP30PDK2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3160967-B1 N-(IMIDAZO[1,2-A]PYRAZIN-6-YL)-BENZAMIDE COMPOUNDS FOR TREATING SPINAL MUSCULAR ATROPHY HOFFMANN LA ROCHE (CH) 2019-05-08 — — EP disclosed
EP-3160967-B1 N-(IMIDAZO[1,2-A]PYRAZIN-6-YL)-BENZAMIDE COMPOUNDS FOR TREATING SPINAL MUSCULAR ATROPHY HOFFMANN LA ROCHE (CH) 2019-05-08 — — EP disclosed
US-9975900-B2 Substituted imidazo[1,2-α]pyrazines for treating spinal muscular atrophy HOFFMANN-LA ROCHE INC. (US) 2018-05-22 — — US disclosed
US-9975900-B2 Substituted imidazo[1,2-α]pyrazines for treating spinal muscular atrophy HOFFMANN-LA ROCHE INC. (US) 2018-05-22 — — US disclosed
US-9975900-B2 Substituted imidazo[1,2-α]pyrazines for treating spinal muscular atrophy HOFFMANN-LA ROCHE INC. (US) 2018-05-22 — — US disclosed
US-20170197969-A1 COMPOUNDS FOR TREATING SPINAL MUSCULAR ATROPHY HOFFMANN-LA ROCHE INC. (US) 2017-07-13 — — US disclosed
US-20170197969-A1 COMPOUNDS FOR TREATING SPINAL MUSCULAR ATROPHY HOFFMANN-LA ROCHE INC. (US) 2017-07-13 — — US disclosed
US-20170197969-A1 COMPOUNDS FOR TREATING SPINAL MUSCULAR ATROPHY HOFFMANN-LA ROCHE INC. (US) 2017-07-13 — — 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 (1 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-20170197969-A1 COMPOUNDS FOR TREATING SPINAL MUSCULAR ATROPHY SMN1; SMN2, PYGM, GYS1 NR1H2 507/4885NR1H3 612/4885USP30 2017/4885

“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.

Send feedback