Sugi Predict

Sugi Predict / Compounds / SCHEMBL2601115

SCHEMBL2601115

SCHEMBL2601115

CC(c1ccccc1)c1cccnc1

nearest known ligand 0.63

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ CFTR P13569 2/20 0.63
▸ GOPC Q9HD26 2/20 0.63
▸ SLC6A2 P23975 1/20 0.63
▸ SLC6A4 P31645 1/20 0.63
▸ SLC6A3 Q01959 1/20 0.63
▸ KDM4E B2RXH2 1/20 0.59
▸ SMN1; SMN2 Q16637 1/20 0.59
▸ TBXAS1 P24557 2/20 0.58
▸ KCNA5 P22460 3/20 0.50
▸ KCNN4 O15554 2/20 0.50
▸ GAA P10253 1/20 0.49
▸ GRM2 Q14416 1/20 0.48
▸ KCNH2 Q12809 1/20 0.46
▸ CYP19A1 P11511 1/20 0.46
▸ CYP11B1 P15538 1/20 0.46
▸ CYP11B2 P19099 1/20 0.46

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
SCHEMBL17071838 1.00 CFTR (0.63) CFTRGOPCSLC6A2SLC6A4SLC6A3
SCHEMBL17069338 1.00 CFTR (0.63) CFTRGOPCSLC6A2SLC6A4SLC6A3
SCHEMBL14283944 1.00 CFTR (0.63) CFTRGOPCSLC6A2SLC6A4SLC6A3
Ammonia Solution, Strong SCHEMBL5999497 0.98 CFTR (0.61) CFTRGOPCSLC6A2SLC6A4SLC6A3
SCHEMBL10446411 0.93 CFTR (0.58) CFTRGOPCSLC6A2SLC6A4SLC6A3
SCHEMBL6581164 0.89 TBXAS1 (0.53) CFTRGOPCSLC6A2SLC6A4SLC6A3
SCHEMBL5023967 0.86 TBXAS1 (0.54) CFTRGOPCSLC6A2SLC6A4SLC6A3
Ammonia Solution, Strong SCHEMBL5998629 0.84 TBXAS1 (0.52) CFTRGOPCSLC6A2SLC6A4SLC6A3
SCHEMBL1773548 0.84 CYP17A1 (0.60) CFTRGOPCSLC6A2SLC6A4SLC6A3
Ammonia Solution, Strong SCHEMBL6000248 0.83 TBXAS1 (0.55) CFTRGOPCSLC6A2SLC6A4SLC6A3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024030651-A1 GPX4 INHIBITORS AND USE THEREOF SONATA THERAPEUTICS, INC. (US) 2024-02-08 — — WO disclosed
EP-3904330-A1 ETHYLENEDIAMINE COMPOUND AND USE THEREOF Academy Of Military Medical Sciences (CN) 2021-11-03 — — EP disclosed
EP-3815689-A1 ARENAVIRUS GROWTH INHIBITOR COMPRISING POLYCYCLIC CARBAMOYL PYRIDONE DERIVATIVE National University Corporation Hokkaido University (JP) 2021-05-05 — — EP disclosed
WO-2020135569-A1 ETHYLENEDIAMINE COMPOUND AND USE THEREOF 中国人民解放军军事科学院军事医学研究院 2020-07-02 — — WO disclosed
EP-3113780-B1 HIV PROTEASE INHIBITORS MERCK SHARP & DOHME (US) 2019-08-14 — — EP disclosed
US-10202379-B2 Substituted polycyclic carbamoyl pyridone derivative prodrug SHIONOGI & CO., LTD. (JP) 2019-02-12 — — US disclosed
CN-109265457-A A kind of new method using oxidation aromatisation building pyridopyrimidine dione skeleton 中国药科大学 2019-01-25 — — CN disclosed
US-9994587-B2 HIV protease inhibitors MERCK SHARP & DOHME CORP. (US) 2018-06-12 — — US disclosed
US-9994587-B2 HIV protease inhibitors MERCK SHARP & DOHME CORP. (US) 2018-06-12 — — US disclosed
EP-2444400-B1 SUBSTITUTED POLYCYCLIC CARBAMOYLPYRIDONE DERIVATIVE SHIONOGI & CO (JP) 2018-03-28 — — EP disclosed
US-20110065671-A1 BICYCLIC HETEROCYCLE DERIVATIVES AND USE THEREOF AS GPR119 MODULATORS MERCK SHARP & DOHME CORP. 2011-03-17 — — US disclosed
WO-2010147068-A1 SUBSTITUTED POLYCYCLIC CARBAMOYLPYRIDONE DERIVATIVE 塩野義製薬株式会社 (JP) 2010-12-23 — — WO disclosed
US-20100004438-A1 DIARYLETHER DERIVATIVES AS ANTITUMOR AGENTS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2010-01-07 — — US disclosed
US-20100004438-A1 DIARYLETHER DERIVATIVES AS ANTITUMOR AGENTS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2010-01-07 — — US disclosed
US-20080027060-A1 DIPEPTIDE NITRILES ALTMANN EVA 2008-01-31 — — US disclosed
US-20070270422-A1 Aromatic Compounds OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2007-11-22 — — US disclosed
US-20070270422-A1 Aromatic Compounds OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2007-11-22 — — US disclosed
WO-2007066784-A2 DIARYLETHER DERIVATIVES AS ANTITUMOR AGENTS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2007-06-14 — — WO disclosed
CN-1304372-C Tri-substituted phenyl derivates useful as PDE IV inhibitors CELLTECH THERAPEUTICS LTD (GB) 2007-03-14 — — CN disclosed
CN-1151732-A Tri-substituted phenyl derivates useful as PDE IV inhibitors CELLTECH THERAPEUTICS LTD (GB) 1997-06-11 — — CN 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-20110065671-A1 BICYCLIC HETEROCYCLE DERIVATIVES AND USE THEREOF AS GPR119 MODULATORS GPR119, GPR39, GPR65 CFTR 477/4885GOPC 1662/4885SLC6A2 2752/4885
US-20100004438-A1 DIARYLETHER DERIVATIVES AS ANTITUMOR AGENTS ROS1, CBR1, CBR3 CFTR 2526/4885GOPC 3691/4885SLC6A2 4260/4885
US-10202379-B2 Substituted polycyclic carbamoyl pyridone derivative prodrug PREP, UNG, DPP4 CFTR 4487/4885GOPC 4199/4885SLC6A2 4424/4885
US-20080027060-A1 DIPEPTIDE NITRILES CTSL, CTSS, CTSB CFTR 883/4885GOPC 4642/4885SLC6A2 2485/4885
US-20070270422-A1 Aromatic Compounds COL1A1, COL2A1, COL14A1 CFTR 1394/4885GOPC 2875/4885SLC6A2 3741/4885

“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.