Sugi Predict

Sugi Predict / Compounds / SCHEMBL2289231

SCHEMBL2289231

SCHEMBL2289231

Nc1cc(Cl)cc2[nH]ncc12

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ IDO1 P14902 4/20 0.61
▸ TDO2 P48775 2/20 0.61
▸ METAP2 P50579 1/20 0.53
▸ NOS1 P29475 3/20 0.46
▸ DYRK1A Q13627 1/20 0.46
▸ CHEK1 O14757 1/20 0.44
▸ CHUK O15111 1/20 0.40
▸ NR4A2 P43354 1/20 0.38
▸ KDM4E B2RXH2 2/20 0.37
▸ MEN1 O00255 2/20 0.37
▸ MAPT P10636 2/20 0.37
▸ KMT2A Q03164 2/20 0.37
▸ PKM P14618 1/20 0.37
▸ HTT P42858 1/20 0.37
▸ ROCK2 O75116 1/20 0.37
▸ ALDH1A1 P00352 1/20 0.37
▸ GAA P10253 1/20 0.37
▸ HPGD P15428 1/20 0.37
▸ RAB9A P51151 1/20 0.37
▸ ROCK1 Q13464 1/20 0.37

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
SCHEMBL14487466 0.79 METAP2 (0.56) IDO1TDO2METAP2NOS1DYRK1A
SCHEMBL470105 0.76 METAP2 (0.53) IDO1TDO2METAP2NOS1DYRK1A
SCHEMBL1118862 0.76 TDO2 (1.00) IDO1TDO2METAP2NOS1DYRK1A
SCHEMBL31299391 0.76 METAP2 (0.53) IDO1TDO2METAP2NOS1DYRK1A
SCHEMBL16682088 0.76 METAP2 (0.53) IDO1TDO2METAP2NOS1DYRK1A
SCHEMBL304051 0.76 IDO1 (0.61) IDO1TDO2METAP2CHEK1KDM4E
SCHEMBL17739410 0.76 METAP2 (0.53) IDO1TDO2METAP2NOS1DYRK1A
SCHEMBL14737953 0.76 METAP2 (0.53) IDO1TDO2METAP2NOS1DYRK1A
SCHEMBL2003535 0.76 METAP2 (0.53) IDO1TDO2METAP2NOS1DYRK1A
SCHEMBL29920973 0.76 TDO2 (1.00) IDO1TDO2METAP2NOS1DYRK1A

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2017133258-A1 1H-INDAZOLE DERIVATIVE AND USE THEREOF AS IDO INHIBITOR 西华大学 2017-08-10 — — WO disclosed
WO-2017098421-A1 BENZOTHIADIAZINE COMPOUNDS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2017-06-15 — — WO disclosed
US-8003787-B2 Sulphoximine-substituted quinoline and quinazoline derivatives as kinase inhibitors BAYER SCHERING PHARMA AG (DE) 2011-08-23 — — US disclosed
EP-2152672-A1 NOVEL SULPHOXIMINE-SUBSTITUTED QUINAZOLINE AND QUINAZOLINE DERIVATIVES AS KINASE INHIBITORS Bayer Schering Pharma Aktiengesellschaft (DE) 2010-02-17 — — EP disclosed
US-20090226377-A1 NOVEL SULPHOXIMINE-SUBSTITUTED QUINOLINE AND QUINAZOLINE DERIVATIVES AS KINASE INHIBITORS BAYER HEALTHCARE LLC (DE) 2009-09-10 — — US disclosed
WO-2008141843-A1 NOVEL SULPHOXIMINE-SUBSTITUTED QUINAZOLINE AND QUINAZOLINE DERIVATIVES AS KINASE INHIBITORS BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2008-11-27 — — 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-20090226377-A1 NOVEL SULPHOXIMINE-SUBSTITUTED QUINOLINE AND QUINAZOLINE DERIVATIVES AS KINASE INHIBITORS MAP4K2, MAP3K20, MAP3K2 IDO1 2126/4885TDO2 1318/4885METAP2 3041/4885

“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.