Sugi Predict

Sugi Predict / Compounds / SCHEMBL2556808

SCHEMBL2556808

SCHEMBL2556808

CC(=O)Nc1ccc(C)c(Br)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 3/20 0.57
▸ NPC1 O15118 2/20 0.57
▸ RAB9A P51151 2/20 0.57
▸ TDP1 Q9NUW8 2/20 0.53
▸ ALDH1A1 P00352 6/20 0.53
▸ KDM4E B2RXH2 3/20 0.52
▸ HSD17B10 Q99714 1/20 0.52
▸ KMT2A Q03164 6/20 0.51
▸ MEN1 O00255 5/20 0.51
▸ MAPT P10636 4/20 0.51
▸ GAA P10253 1/20 0.51
▸ HTT P42858 1/20 0.50
▸ L3MBTL1 Q9Y468 1/20 0.50
▸ IDO1 P14902 1/20 0.49
▸ GLA P06280 1/20 0.49
▸ TNNI3 P19429 1/20 0.49
▸ TNNT2 P45379 1/20 0.49
▸ TNNC1 P63316 1/20 0.49
▸ RUNX1 Q01196 1/20 0.49
▸ CBFB Q13951 1/20 0.49

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
SCHEMBL31094956 1.00 SMN1; SMN2 (0.57) SMN1; SMN2NPC1RAB9ATDP1ALDH1A1
SCHEMBL2886975 0.86 ALDH1A1 (0.56) SMN1; SMN2NPC1RAB9ATDP1ALDH1A1
SCHEMBL30230948 0.85 IDO1 (0.64) SMN1; SMN2NPC1RAB9ATDP1ALDH1A1
SCHEMBL527724 0.85 IDO1 (0.64) SMN1; SMN2NPC1RAB9ATDP1ALDH1A1
SCHEMBL7659979 0.84 HTT (0.54) SMN1; SMN2NPC1RAB9ATDP1ALDH1A1
SCHEMBL17509872 0.82 POLB (0.59) SMN1; SMN2NPC1RAB9ATDP1ALDH1A1
SCHEMBL29990241 0.82 POLB (0.68) SMN1; SMN2NPC1RAB9ATDP1ALDH1A1
SCHEMBL2336203 0.82 POLB (0.68) SMN1; SMN2NPC1RAB9ATDP1ALDH1A1
SCHEMBL850626 0.81 SMN1; SMN2 (0.52) SMN1; SMN2NPC1RAB9ATDP1ALDH1A1
SCHEMBL5936720 0.81 SMN1; SMN2 (0.63) SMN1; SMN2NPC1RAB9ATDP1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12624028-B2 1H-pyrazolo[4,3-G]isoquinoline and 1H-pyrazolo[4,3-g]quinoline derivatives as alpha-1-antitrypsin modulators for treating alpha-1-antitrypsin deficiency (AATD) VERTEX PHARMACEUTICALS INCORPORATED (US) 2026-05-12 — — US disclosed
US-20230159521-A1 1H-PYRAZOLO[4,3-G]ISOQUINOLINE AND 1H-PYRAZOLO[4,3-G]QUINOLINE DERIVATIVES AS ALPHA-1-ANTITRYPSIN MODULATORS FOR TREATING ALPHA-1-ANTITRYPSIN DEFICIENCY (AATD) VERTEX PHARMACEUTICALS INCORPORATED 2023-05-25 — — US disclosed
US-20230159521-A1 1H-PYRAZOLO[4,3-G]ISOQUINOLINE AND 1H-PYRAZOLO[4,3-G]QUINOLINE DERIVATIVES AS ALPHA-1-ANTITRYPSIN MODULATORS FOR TREATING ALPHA-1-ANTITRYPSIN DEFICIENCY (AATD) VERTEX PHARMACEUTICALS INCORPORATED 2023-05-25 — — US disclosed
US-20230159521-A1 1H-PYRAZOLO[4,3-G]ISOQUINOLINE AND 1H-PYRAZOLO[4,3-G]QUINOLINE DERIVATIVES AS ALPHA-1-ANTITRYPSIN MODULATORS FOR TREATING ALPHA-1-ANTITRYPSIN DEFICIENCY (AATD) VERTEX PHARMACEUTICALS INCORPORATED 2023-05-25 — — US disclosed
CN-115715292-A 1H-pyrazolo [4,3-g ] isoquinoline and 1H-pyrazolo [4,3-g ] quinoline derivatives as alpha-1-antitrypsin modulators for the treatment of alpha-1-antitrypsin deficiency (AATD) 弗特克斯药品有限公司 2023-02-24 — — CN disclosed
EP-4126863-A1 1 H-PYRAZOLO[4,3-G]ISOQUINOLINE AND 1 H-PYRAZOLO[4,3-G]QUINOLINE DERIVATIVES AS ALPHA-1 -ANTITRYPSIN MODULATORS FOR TREATING ALPHA-1 -ANTITRYPSIN DEFICIENCY (AATD) Vertex Pharmaceuticals Incorporated (US) 2023-02-08 — — EP disclosed
WO-2021203025-A1 1 H-PYRAZOLO[4,3-G]ISOQUINOLINE AND 1 H-PYRAZOLO[4,3-G]QUINOLINE DERIVATIVES AS ALPHA-1 -ANTITRYPSIN MODULATORS FOR TREATING ALPHA-1 -ANTITRYPSIN DEFICIENCY (AATD) VERTEX PHARMACEUTICALS INCORPORATED (US) 2021-10-07 — — WO disclosed
WO-2021203025-A1 1 H-PYRAZOLO[4,3-G]ISOQUINOLINE AND 1 H-PYRAZOLO[4,3-G]QUINOLINE DERIVATIVES AS ALPHA-1 -ANTITRYPSIN MODULATORS FOR TREATING ALPHA-1 -ANTITRYPSIN DEFICIENCY (AATD) VERTEX PHARMACEUTICALS INCORPORATED (US) 2021-10-07 — — WO disclosed
US-9487517-B2 Spiroimidazolone derivative CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2016-11-08 — — US disclosed
US-9487517-B2 Spiroimidazolone derivative CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2016-11-08 — — US disclosed
US-7423038-B2 Compounds and compositions as protein kinase inhibitors IRM LLC (A DELAWARE LIMITED LIABILITY CORPORATION) (BM) 2008-09-09 — — US disclosed
US-20080113986-A1 such as serine/threonine, fusion, and tyrosine kinase receptors as nerve and fibroblast growth factor; abnormal activation of immune and nervous systems; antiproliferative; N-[4-methyl-3-(8-methyl-2-methylamino-7-oxo-7,8-dihydropteridin-6-yl)-phenyl]-3-morpholin-4-yl-5-trifluoromethyl-benzamide IRM LLC (BM) 2008-05-15 — — US disclosed
US-20080113986-A1 such as serine/threonine, fusion, and tyrosine kinase receptors as nerve and fibroblast growth factor; abnormal activation of immune and nervous systems; antiproliferative; N-[4-methyl-3-(8-methyl-2-methylamino-7-oxo-7,8-dihydropteridin-6-yl)-phenyl]-3-morpholin-4-yl-5-trifluoromethyl-benzamide IRM LLC (BM) 2008-05-15 — — US disclosed
US-20070254867-A1 Heterocyclic Kinase Inhibitors ABBVIE INC. 2007-11-01 — — US disclosed
CN-101031568-A Compounds and compositions as protein kinase inhibitors IRM LLC (BM) 2007-09-05 — — CN disclosed
EP-1765820-A1 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS IRM LLC (BM) 2007-03-28 — — EP disclosed
WO-2006002367-A1 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS IRM LLC (BM) 2006-01-05 — — WO disclosed
EP-1606268-A1 HETEROCYCLIC KINASE INHIBITORS Abbott Laboratories (US) 2005-12-21 — — EP disclosed
US-20040254159-A1 Heterocyclic kinase inhibitors ABBOTT LABORATORIES 2004-12-16 — — US disclosed
WO-2004076424-A1 HETEROCYCLIC KINASE INHIBITORS ABBOTT LABORATORIES (US) 2004-09-10 — — 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 (5 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-20040254159-A1 Heterocyclic kinase inhibitors MAP3K20, MAP3K19, MAP3K1 SMN1; SMN2 3469/4885NPC1 3001/4885RAB9A 2046/4885
US-12624028-B2 1H-pyrazolo[4,3-G]isoquinoline and 1H-pyrazolo[4,3-g]quinoline derivatives as alpha-1-antitrypsin modulators for treating alpha-1-antitrypsin deficiency (AATD) SERPINA2, SERPINC1, SERPINH1 SMN1; SMN2 2089/4885NPC1 117/4885RAB9A 3455/4885
US-20080113986-A1 such as serine/threonine, fusion, and tyrosine kinase receptors as nerve and fibroblast growth factor; abnormal activation of immune and nervous systems; antiproliferative; N-[4-methyl-3-(8-methyl-2-methylamino-7-oxo-7,8-dihydropteridin-6-yl)-phenyl]-3-morpholin-4-yl-5-trifluoromethyl-benzamide LCK, FRK, FYN SMN1; SMN2 954/4885NPC1 3489/4885RAB9A 1367/4885
US-20070254867-A1 Heterocyclic Kinase Inhibitors MAP3K20, MAP3K19, MAP4K2 SMN1; SMN2 3562/4885NPC1 3492/4885RAB9A 1853/4885
US-20230159521-A1 1H-PYRAZOLO[4,3-G]ISOQUINOLINE AND 1H-PYRAZOLO[4,3-G]QUINOLINE DERIVATIVES AS ALPHA-1-ANTITRYPSIN MODULATORS FOR TREATING ALPHA-1-ANTITRYPSIN DEFICIENCY (AATD) SERPINA2, SERPINE1, SERPINA3 SMN1; SMN2 3099/4885NPC1 518/4885RAB9A 2260/4885

“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.