Sugi Predict

Sugi Predict / Compounds / SCHEMBL9628

SCHEMBL9628

SCHEMBL9628

COc1cc(Br)cnc1Br

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CHRNB2 P17787 8/20 0.49
▸ CHRNA4 P43681 8/20 0.49
▸ CHRNB4 P30926 7/20 0.42
▸ CHRNA3 P32297 7/20 0.42
▸ HTT P42858 2/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ ALDH1A1 P00352 2/20 0.38
▸ NQO2 P16083 2/20 0.38
▸ ALOX12 P18054 2/20 0.37
▸ RAB9A P51151 2/20 0.37
▸ SHMT2 P34897 1/20 0.37
▸ NPC1 O15118 1/20 0.37
▸ GAA P10253 1/20 0.37
▸ MAPT P10636 1/20 0.37
▸ NPSR1 Q6W5P4 1/20 0.37
▸ ERN1 O75460 1/20 0.36
▸ ALOX15 P16050 1/20 0.36
▸ ATM Q13315 1/20 0.36
▸ DYRK1B Q9Y463 1/20 0.36
▸ POLB P06746 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
SCHEMBL13500442 0.80 CHRNB2 (0.47) CHRNB2CHRNA4CHRNB4CHRNA3ALDH1A1
SCHEMBL29846174 0.80 CHRNB2 (0.47) CHRNB2CHRNA4CHRNB4CHRNA3HTT
SCHEMBL3575916 0.80 CHRNB2 (0.47) CHRNB2CHRNA4CHRNB4CHRNA3HTT
SCHEMBL8916 0.80 PIK3CA (0.49) HTTKMT2AALDH1A1NQO2ALOX12
SCHEMBL188851 0.80 ALDH1A1 (0.46) HTTKMT2AALDH1A1NQO2ALOX12
SCHEMBL29611762 0.80 PIK3CA (0.49) HTTKMT2AALDH1A1NQO2ALOX12
SCHEMBL608749 0.78 CHRNB2 (0.42) CHRNB2CHRNA4CHRNB4CHRNA3KMT2A
SCHEMBL16213730 0.78 ALOX5 (0.48) CHRNB2CHRNA4CHRNB4CHRNA3ALDH1A1
SCHEMBL22264556 0.78 ERN1 (0.42) ALDH1A1NQO2ALOX12RAB9ASHMT2
SCHEMBL20918931 0.78 CHRNB2 (0.46) CHRNB2CHRNA4CHRNB4CHRNA3HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108349942-B Indolin-2-one derivatives for the treatment of CNS and related diseases 豪夫迈·罗氏有限公司 2021-03-30 — — CN disclosed
US-10457667-B2 Indolin-2-one derivatives HOFFMANN-LA ROCHE INC. (US) 2019-10-29 — — US disclosed
US-10457667-B2 Indolin-2-one derivatives HOFFMANN-LA ROCHE INC. (US) 2019-10-29 — — US disclosed
EP-3371169-B1 INDOLIN-2-ONE DERIVATIVES FOR USE IN THE TREATMENT OF CNS AND RELATED DISORDERS HOFFMANN LA ROCHE (CH) 2019-07-17 — — EP disclosed
EP-3371169-B1 INDOLIN-2-ONE DERIVATIVES FOR USE IN THE TREATMENT OF CNS AND RELATED DISORDERS HOFFMANN LA ROCHE (CH) 2019-07-17 — — EP disclosed
EP-3371169-A1 INDOLIN-2-ONE DERIVATIVES FOR USE IN THE TREATMENT OF CNS AND RELATED DISORDERS H. Hoffnabb-La Roche Ag (CH) 2018-09-12 — — EP disclosed
US-20180251451-A1 INDOLIN-2-ONE DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2018-09-06 — — US disclosed
US-20180016263-A1 INHIBITORS OF THE RENAL OUTER MEDULLARY POTASSIUM CHANNEL MERCK SHARP & DOHME LLC 2018-01-18 — — US disclosed
US-20180016263-A1 INHIBITORS OF THE RENAL OUTER MEDULLARY POTASSIUM CHANNEL MERCK SHARP & DOHME LLC 2018-01-18 — — US disclosed
EP-2794600-B1 2,3-Dihydro-benzo[1,4]oxazine derivatives and related compounds as phosphoinositide-3 kinase (PI3K) inhibitors for the treatment of e.g. rheumatoid arthritis NOVARTIS AG (CH) 2017-12-06 — — EP disclosed
EP-2398810-A1 TETRAHYDROTHIAZOLOPYRIDINE INHIBITORS OF PHOSPHATIDYLINOSITOL 3-KINASE Vertex Pharmaceuticals Incorporated (US) 2011-12-28 — — EP disclosed
WO-2011041634-A1 PYRAZOLE INHIBITORS OF PHOSPHATIDYLINOSITOL 3-KINASE VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-04-07 — — WO disclosed
WO-2011041634-A1 PYRAZOLE INHIBITORS OF PHOSPHATIDYLINOSITOL 3-KINASE VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-04-07 — — WO disclosed
US-20110081316-A1 PYRAZOLE INHIBITORS OF PHOSPHATIDYLINOSITOL 3-KINASE VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-04-07 — — US disclosed
US-20110081316-A1 PYRAZOLE INHIBITORS OF PHOSPHATIDYLINOSITOL 3-KINASE VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-04-07 — — US disclosed
US-20110081316-A1 PYRAZOLE INHIBITORS OF PHOSPHATIDYLINOSITOL 3-KINASE VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-04-07 — — US disclosed
WO-2010135014-A1 TRI-CYCLIC PYRAZOLOPYRIDINE KINASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-11-25 — — WO disclosed
WO-2010135014-A1 TRI-CYCLIC PYRAZOLOPYRIDINE KINASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-11-25 — — WO disclosed
WO-2010096389-A1 TETRAHYDROTHIAZOLOPYRIDINE INHIBITORS OF PHOSPHATIDYLINOSITOL 3-KINASE VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-08-26 — — WO disclosed
WO-2010096389-A1 TETRAHYDROTHIAZOLOPYRIDINE INHIBITORS OF PHOSPHATIDYLINOSITOL 3-KINASE VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-08-26 — — 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 (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-10457667-B2 Indolin-2-one derivatives GRIN2B, GRIN2A, GRIN2D CHRNB2 19/4885CHRNA4 63/4885CHRNB4 45/4885
US-20180251451-A1 INDOLIN-2-ONE DERIVATIVES GRIN2B, GRIN2A, GRIN2D CHRNB2 19/4885CHRNA4 63/4885CHRNB4 45/4885
US-20180016263-A1 INHIBITORS OF THE RENAL OUTER MEDULLARY POTASSIUM CHANNEL KCNJ11, KCNJ1, SLC9A1 CHRNB2 2205/4885CHRNA4 2647/4885CHRNB4 2769/4885
US-20110081316-A1 PYRAZOLE INHIBITORS OF PHOSPHATIDYLINOSITOL 3-KINASE PIK3CA, PIK3CD, PIK3CG CHRNB2 4629/4885CHRNA4 4639/4885CHRNB4 4747/4885

“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.