SCHEMBL2629359

SCHEMBL2629359

CC(=O)Nc1nnc(C)s1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 7/20 0.65
TP53 P04637 2/20 0.63
POLB P06746 3/20 0.56
MEN1 O00255 2/20 0.56
KMT2A Q03164 2/20 0.56
TDP1 Q9NUW8 2/20 0.56
ALDH1A1 P00352 2/20 0.56
NPC1 O15118 2/20 0.56
RAB9A P51151 2/20 0.56
MAPT P10636 2/20 0.56
PKM P14618 1/20 0.56
APEX1 P27695 1/20 0.56
RECQL P46063 1/20 0.56
L3MBTL1 Q9Y468 1/20 0.56
CA12 O43570 2/20 0.55
CA1 P00915 2/20 0.55
CA2 P00918 2/20 0.55
CA3 P07451 2/20 0.55
CA4 P22748 2/20 0.55
CA6 P23280 2/20 0.55

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
SCHEMBL629408 0.86 CA1 (0.62) SMN1; SMN2TP53POLBMEN1KMT2A
SCHEMBL21222557 0.84 TP53 (0.66) SMN1; SMN2TP53POLBMEN1KMT2A
SCHEMBL5632654 0.81 TP53 (0.61) SMN1; SMN2TP53POLBMEN1KMT2A
SCHEMBL10626835 0.80 TP53 (0.71) SMN1; SMN2TP53POLBTDP1ALDH1A1
SCHEMBL8736369 0.79 TP53 (0.59) SMN1; SMN2TP53POLBMEN1KMT2A
SCHEMBL9740903 0.78 SMN1; SMN2 (0.55) SMN1; SMN2TP53POLBMEN1KMT2A
SCHEMBL12599386 0.78 CA1 (0.58) SMN1; SMN2TP53POLBMEN1KMT2A
SCHEMBL3523296 0.78 TP53 (0.58) SMN1; SMN2TP53POLBMEN1KMT2A
SCHEMBL9290603 0.78 POLB (0.66) SMN1; SMN2TP53POLBMEN1KMT2A
SCHEMBL8246439 0.77 SMN1; SMN2 (0.53) SMN1; SMN2TP53POLBMEN1KMT2A

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 86 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3419974-B1 PROCESS FOR THE SEPARATION OF ENANTIOMERS OF PIPERAZINE DERIVATIVES ASCENEURON SA (CH) 2021-05-05 EP disclosed
EP-3419976-B1 ACID ADDITION SALTS OF PIPERAZINE DERIVATIVES ASCENEURON SA (CH) 2021-04-07 EP disclosed
WO-2020039029-A1 SPIRO COMPOUNDS AS GLYCOSIDASE INHIBITORS ASCENEURON S. A. (CH) 2020-02-27 WO disclosed
WO-2020039027-A1 PYRROLIDINE GLYCOSIDASE INHIBITORS ASCENEURON S. A. (CH) 2020-02-27 WO disclosed
WO-2020039028-A1 TETRAHYDRO-BENZOAZEPINE GLYCOSIDASE INHIBITORS ASCENEURON S. A. (CH) 2020-02-27 WO disclosed
EP-3556757-A1 CYCLOALKYL-LINKED DIHETEROCYCLE DERIVATIVES Pfizer Inc (US) 2019-10-23 EP disclosed
WO-2019037860-A1 LINEAR GLYCOSIDASE INHIBITORS Asceneuron S.A. (CH) 2019-02-28 WO disclosed
US-9956302-B2 Compounds and compositions for the treatment of ocular disorders Graybug Vision, Inc. (US) 2018-05-01 US disclosed
US-20180110864-A1 COMPOUNDS AND COMPOSITIONS FOR THE TREATMENT OF OCULAR DISORDERS Graybug Vision, Inc. (US) 2018-04-26 US disclosed
US-20180104350-A1 COMPOUNDS AND COMPOSITIONS FOR THE TREATMENT OF OCULAR DISORDERS Graybug Vision, Inc. (US) 2018-04-19 US disclosed
US-7129249-B2 Heterocyclic amide derivatives as inhibitors of glycogen phoshorylase ASTRAZENECA AB (SE) 2006-10-31 US disclosed
WO-2005054430-A2 HEPATITIS C VIRUS INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2005-06-16 WO disclosed
US-20050131016-A1 Chemical compounds ASTRAZENECA AB (SE) 2005-06-16 US disclosed
US-20050131015-A1 Heterocyclic amide derivatives as inhibitors of glycogen phoshorylase ASTRAZENECA AB (SE) 2005-06-16 US disclosed
EP-1485371-A2 INDOLE AMIDE DERIVATIVES AND THEIR USE AS GLYCOGEN PHOSPHORYLASE INHIBITORS AstraZeneca AB (SE) 2004-12-15 EP disclosed
WO-2004094452-A2 MACROCYCLIC ISOQUINOLINE PEPTIDE INHIBITORS OF HEPATITIS C VIRUS BRISTOL-MYERS SQUIBB COMPANY (US) 2004-11-04 WO disclosed
WO-2003099316-A1 HETEROCYCLICSULFONAMIDE HEPATITIS C VIRUS INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2003-12-04 WO disclosed
WO-2003074513-A2 INDOLE AMIDE DERIVATIVES AND THEIR USE AS GLYCOGEN PHOSPHORYLASE INHIBITORS ASTRAZENECA AB (SE) 2003-09-12 WO disclosed
US-5654322-A HYPOTENSIVE AGENTS, CEREBRAL APOPLEXY WAKUNAGA SEIYAKU KABUSHIKI KAISHA (JP) 1997-08-05 US disclosed
EP-0656355-A1 BIPHENYLMETHANE DERIVATIVE AND MEDICINE CONTAINING THE SAME WAKUNAGA SEIYAKU KABUSHIKI KAISHA (JP) 1995-06-07 EP 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-20050131015-A1 Heterocyclic amide derivatives as inhibitors of glycogen phoshorylase PYGL, GYS2, GYS1 SMN1; SMN2 2993/4885TP53 3289/4885POLB 2153/4885
US-20050131016-A1 Chemical compounds PYGL, GYS1, CA9 SMN1; SMN2 1573/4885TP53 3313/4885POLB 824/4885
US-20180110864-A1 COMPOUNDS AND COMPOSITIONS FOR THE TREATMENT OF OCULAR DISORDERS PTGIR, PTGIS, CA2 SMN1; SMN2 3728/4885TP53 3168/4885POLB 3189/4885
US-20180104350-A1 COMPOUNDS AND COMPOSITIONS FOR THE TREATMENT OF OCULAR DISORDERS PTGIR, PTGIS, CA2 SMN1; SMN2 3728/4885TP53 3168/4885POLB 3189/4885

“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.