SCHEMBL17375424

SCHEMBL17375424

CC[C@@H]1CN(c2ccc(C(=O)O)c(OC)n2)CCN1C(=O)OC(C)(C)C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP4K4 O95819 2/20 0.44
PARP1 P09874 1/20 0.43
DPP4 P27487 1/20 0.43
HDAC1 Q13547 2/20 0.42
NR1H2 P55055 4/20 0.41
NR1H3 Q13133 4/20 0.41
POLB P06746 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
PRKAB2 O43741 5/20 0.37
PRKAG1 P54619 5/20 0.37
PRKAA2 P54646 5/20 0.37
PRKAA1 Q13131 5/20 0.37
PRKAG3 Q9UGI9 5/20 0.37
PRKAG2 Q9UGJ0 5/20 0.37
PRKAB1 Q9Y478 5/20 0.37
CKS1B P61024 1/20 0.36
SKP1 P63208 1/20 0.36
SKP2 Q13309 1/20 0.36
IDH1 O75874 1/20 0.36
MEN1 O00255 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
SCHEMBL17384876 0.91 PARP1 (0.51) MAP4K4PARP1DPP4HDAC1NR1H2
SCHEMBL16333441 0.87 MAP4K4 (0.57) MAP4K4DPP4HDAC1NR1H2NR1H3
SCHEMBL16333318 0.80 MAP4K4 (0.53) MAP4K4POLBTDP1CKS1BSKP1
SCHEMBL19096970 0.80 BTK (0.40) PARP1PRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL17375391 0.80 BTK (0.40) PARP1PRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL38664017 0.78 PARP1 (0.48) MAP4K4PARP1DPP4HDAC1NR1H2
SCHEMBL38665849 0.78 PARP1 (0.48) MAP4K4PARP1DPP4HDAC1NR1H2
SCHEMBL38665068 0.78 MAP4K4 (0.46) MAP4K4PARP1DPP4HDAC1NR1H2
SCHEMBL38664483 0.78 MAP4K4 (0.46) MAP4K4PARP1DPP4HDAC1NR1H2
SCHEMBL21070521 0.75 HDAC1 (0.56) MAP4K4PARP1DPP4HDAC1NR1H2

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-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-20170197969-A1 COMPOUNDS FOR TREATING SPINAL MUSCULAR ATROPHY HOFFMANN-LA ROCHE INC. (US) 2017-07-13 US disclosed
EP-3160967-A1 IMIDAZO[1,2-A]PYRAZIN-1YL-BENZAMIDE COMPOUNDS FOR TREATING SPINAL MUSCULAR ATROPHY F. Hoffmann-La Roche AG (CH) 2017-05-03 EP disclosed
WO-2015197503-A1 IMIDAZO[1,2-A]PYRAZIN-1YL-BENZAMIDE COMPOUNDS FOR TREATING SPINAL MUSCULAR ATROPHY F. HOFFMANN-LA ROCHE AG (CH) 2015-12-30 WO 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 MAP4K4 4379/4885PARP1 2340/4885DPP4 3146/4885

“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.