Sugi Predict

Sugi Predict / Compounds / SCHEMBL768367

SCHEMBL768367

SCHEMBL768367

CN(C)S(=O)(=O)c1cncc(Br)c1

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.50
▸ HTT P42858 3/20 0.50
▸ LMNA P02545 2/20 0.49
▸ SMN1; SMN2 Q16637 2/20 0.43
▸ NPC1 O15118 1/20 0.43
▸ RAB9A P51151 1/20 0.43
▸ PIK3C3 Q8NEB9 1/20 0.42
▸ MAPT P10636 1/20 0.41
▸ S100A9 P06702 1/20 0.39
▸ POLB P06746 1/20 0.37
▸ HCAR2 Q8TDS4 1/20 0.37
▸ EGFR P00533 3/20 0.37
▸ MAPK1 P28482 1/20 0.37
▸ PTGS2 P35354 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
SCHEMBL15053091 0.82 ALDH1A1 (0.38) ALDH1A1HTTLMNASMN1; SMN2NPC1
SCHEMBL750424 0.81 ALDH1A1 (0.53) ALDH1A1HTTLMNASMN1; SMN2NPC1
SCHEMBL13188873 0.79 ALDH1A1 (0.45) ALDH1A1HTTLMNASMN1; SMN2NPC1
SCHEMBL12457524 0.78 PIK3C3 (0.43) ALDH1A1HTTLMNASMN1; SMN2NPC1
SCHEMBL853773 0.78 PTGS2 (0.48) HTTSMN1; SMN2RAB9APIK3C3S100A9
SCHEMBL31375066 0.77 S100A9 (0.44) HTTSMN1; SMN2RAB9AS100A9POLB
SCHEMBL30633560 0.77 MAPT (0.47) ALDH1A1HTTLMNASMN1; SMN2NPC1
SCHEMBL3064504 0.77 PIK3C3 (0.42) ALDH1A1HTTLMNASMN1; SMN2NPC1
SCHEMBL1347001 0.77 SMN1; SMN2 (0.49) ALDH1A1HTTLMNASMN1; SMN2NPC1
SCHEMBL28106955 0.77 S100A9 (0.37) ALDH1A1HTTLMNASMN1; SMN2NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10596184-B2 Aza-heteroaryl compounds as PI3K-gamma inhibitors INCYTE CORPORATION (US) 2020-03-24 — — US disclosed
US-10596184-B2 Aza-heteroaryl compounds as PI3K-gamma inhibitors INCYTE CORPORATION (US) 2020-03-24 — — US disclosed
US-10377746-B2 Indolin-2-one derivatives HOFFMANN-LA ROCHE INC. (US) 2019-08-13 — — US disclosed
EP-3371170-B1 INDOLIN-2-ONE DERIVATIVES USEFUL IN THE TREATMENT OF CNS DISEASES HOFFMANN LA ROCHE (CH) 2019-07-31 — — EP disclosed
EP-3371170-A1 INDOLIN-2-ONE DERIVATIVES USEFUL IN THE TREATMENT OF CNS DISEASES H. Hoffnabb-La Roche Ag (CH) 2018-09-12 — — EP disclosed
US-20180251455-A1 INDOLIN-2-ONE DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2018-09-06 — — US disclosed
US-10022387-B2 Aza-heteroaryl compounds as PI3K-gamma inhibitors INCYTE CORPORATION (US) 2018-07-17 — — US disclosed
US-10022387-B2 Aza-heteroaryl compounds as PI3K-gamma inhibitors INCYTE CORPORATION (US) 2018-07-17 — — US disclosed
US-10022387-B2 Aza-heteroaryl compounds as PI3K-gamma inhibitors INCYTE CORPORATION (US) 2018-07-17 — — 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
US-20120071512-A1 5-PYRIDIN-3-YL-1, 3-DIHYDRO-INDOL-2-ON DERIVATIVES AND THEIR USE AS MODULATORS OF ALDOSTERONE SYNTHASE AND/OR CYP11B1 NOVARTIS AG (CH) 2012-03-22 — — US disclosed
EP-2396295-A1 PHENOXY ACETIC ACID DERIVATIVES Merck Serono S.A. (CH) 2011-12-21 — — EP disclosed
US-20110288066-A1 PHENOXY ACETIC ACID DERIVATIVES MERCK SERONO S.A. (CH) 2011-11-24 — — US disclosed
US-20110288066-A1 PHENOXY ACETIC ACID DERIVATIVES MERCK SERONO S.A. (CH) 2011-11-24 — — US disclosed
US-20110288066-A1 PHENOXY ACETIC ACID DERIVATIVES MERCK SERONO S.A. (CH) 2011-11-24 — — US disclosed
US-20100298290-A1 Benzoxazepines as Inhibitors of PI3K/mTOR and Methods of Their Use and Manufacture EXELIXIS, INC. (US) 2010-11-25 — — US disclosed
WO-2010135524-A1 BENZOXAZEPINES BASED P13K/MT0R INHIBITORS AGAINST PROLIFERATIVE DISEASES EXELIXIS, INC. (US) 2010-11-25 — — WO disclosed
WO-2010092043-A1 PHENOXY ACETIC ACID DERIVATIVES MERCK SERONO S.A. (CH) 2010-08-19 — — WO disclosed
WO-2010092043-A1 PHENOXY ACETIC ACID DERIVATIVES MERCK SERONO S.A. (CH) 2010-08-19 — — WO disclosed
EP-1831198-B1 PYRIDINE CARBOXAMIDE DERIVATIVES FOR USE AS ANTICANCER AGENTS ASTRAZENECA AB (SE) 2009-04-08 — — 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 (7 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-20100298290-A1 Benzoxazepines as Inhibitors of PI3K/mTOR and Methods of Their Use and Manufacture MTOR, RICTOR, PIK3CA ALDH1A1 3395/4885HTT 2079/4885LMNA 2593/4885
US-20180251455-A1 INDOLIN-2-ONE DERIVATIVES HTR3C, GRIN2D, DRD2 ALDH1A1 2121/4885HTT 60/4885LMNA 2270/4885
US-10596184-B2 Aza-heteroaryl compounds as PI3K-gamma inhibitors PIK3R5, PIK3R1, PIK3R3 ALDH1A1 3781/4885HTT 798/4885LMNA 4314/4885
US-10377746-B2 Indolin-2-one derivatives HTR3C, GRIN2D, DRD2 ALDH1A1 2121/4885HTT 60/4885LMNA 2270/4885
US-20120071512-A1 5-PYRIDIN-3-YL-1, 3-DIHYDRO-INDOL-2-ON DERIVATIVES AND THEIR USE AS MODULATORS OF ALDOSTERONE SYNTHASE AND/OR CYP11B1 CYP11B1, HSD11B1, CYP11B2 ALDH1A1 330/4885HTT 4716/4885LMNA 1338/4885
US-20110288066-A1 PHENOXY ACETIC ACID DERIVATIVES HRH2, HRH1, HRH3 ALDH1A1 54/4885HTT 4078/4885LMNA 4243/4885
US-10022387-B2 Aza-heteroaryl compounds as PI3K-gamma inhibitors PIK3R5, PIK3R1, PIK3R3 ALDH1A1 3781/4885HTT 798/4885LMNA 4314/4885

“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.