SCHEMBL378124

SCHEMBL378124

N#Cc1ccc(-c2ncc[nH]2)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NISCH Q9Y2I1 2/20 0.58
MTOR P42345 1/20 0.57
ADK P55263 1/20 0.57
KDM4E B2RXH2 2/20 0.51
ALDH1A1 P00352 2/20 0.51
CYP1A2 P05177 1/20 0.51
CYP3A4 P08684 1/20 0.51
CYP2D6 P10635 1/20 0.51
CYP19A1 P11511 1/20 0.51
CYP2C9 P11712 1/20 0.51
CYP2C19 P33261 1/20 0.51
PDE4A P27815 1/20 0.47
PDE4B Q07343 1/20 0.47
PDE4C Q08493 1/20 0.47
PDE4D Q08499 1/20 0.47
PDE3B Q13370 1/20 0.46
PDE3A Q14432 1/20 0.46
RIPK1 Q13546 1/20 0.45
CCNB2 O95067 1/20 0.42
CDK1 P06493 1/20 0.42

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
Hydrochloric Acid SCHEMBL29165675 0.98 NISCH (0.56) NISCHMTORADKKDM4EALDH1A1
SCHEMBL722191 0.83 NISCH (0.78) NISCHMTORADKKDM4EALDH1A1
SCHEMBL3399083 0.83 KIF11 (0.54) NISCHMTORADKKDM4EALDH1A1
SCHEMBL27680882 0.82 MAPKAPK2 (0.44) NISCHMTORADKALDH1A1PDE4A
SCHEMBL862114 0.81 NISCH (0.75) NISCHMTORADKKDM4EALDH1A1
SCHEMBL28155840 0.81 NISCH (0.58) NISCHMTORADKKDM4EALDH1A1
SCHEMBL17801023 0.80 LRRK2 (0.52) CHEK1
SCHEMBL2052675 0.79 CLK4 (0.57) NISCHMTORADK
SCHEMBL8672992 0.76 NISCH (0.62) NISCHMTORADKKDM4EALDH1A1
SCHEMBL28823231 0.75 NISCH (0.67) NISCHMTORADKKDM4EALDH1A1

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
CN-109071459-B PPAR agonists, compounds, pharmaceutical compositions, and methods of use thereof 米托布里奇公司 2022-08-16 CN disclosed
US-11358954-B2 PPAR agonists, compounds, pharmaceutical compositions, and methods of use thereof MITOBRIDGE, INC. (US) 2022-06-14 US disclosed
US-11358954-B2 PPAR agonists, compounds, pharmaceutical compositions, and methods of use thereof MITOBRIDGE, INC. (US) 2022-06-14 US disclosed
EP-3442948-B1 PPAR AGONISTS, COMPOUNDS, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF USE THEREOF MITOBRIDGE INC (US) 2020-12-16 EP disclosed
EP-3442948-B1 PPAR AGONISTS, COMPOUNDS, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF USE THEREOF MITOBRIDGE INC (US) 2020-12-16 EP disclosed
US-20200347037-A1 PPAR AGONISTS, COMPOUNDS, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF USE THEREOF MITOBRIDGE, INC. (US) 2020-11-05 US disclosed
US-20200347037-A1 PPAR AGONISTS, COMPOUNDS, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF USE THEREOF MITOBRIDGE, INC. (US) 2020-11-05 US disclosed
EP-3442948-A1 PPAR AGONISTS, COMPOUNDS, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF USE THEREOF Mitobridge, Inc. (US) 2019-02-20 EP disclosed
WO-2017180818-A1 PPAR AGONISTS, COMPOUNDS, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF USE THEREOF MITOBRIDGE, INC. (US) 2017-10-19 WO disclosed
WO-2017180818-A1 PPAR AGONISTS, COMPOUNDS, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF USE THEREOF MITOBRIDGE, INC. (US) 2017-10-19 WO disclosed
EP-1799241-A2 COMBINATION THERAPY FOR THE TREATMENT OF OBESITY Merck & Co., Inc. (US) 2007-06-27 EP disclosed
WO-2006036770-A2 COMBINATION THERAPY FOR THE TREATMENT OF OBESITY MERCK & CO., INC. (US) 2006-04-06 WO disclosed
EP-1635832-A2 COMBINATION THERAPY FOR THE TREATMENT OF DIABETES Merck & Co., Inc. (US) 2006-03-22 EP disclosed
EP-1635813-A2 COMBINATION THERAPY FOR THE TREATMENT OF DYSLIPIDEMIA Merck & Co. Inc. (US) 2006-03-22 EP disclosed
EP-1635773-A2 COMBINATION THERAPY FOR THE TREATMENT OF HYPERTENSION Merck & Co., Inc. (a New Jersey corp.) (US) 2006-03-22 EP disclosed
EP-1534074-A2 COMBINATION THERAPY FOR THE TREATMENT OF OBESITY Merck & Co., Inc. (US) 2005-06-01 EP disclosed
WO-2005000217-A2 COMBINATION THERAPY FOR THE TREATMENT OF DYSLIPIDEMIA MERCK & CO., INC. (US) 2005-01-06 WO disclosed
WO-2004110375-A2 COMBINATION THERAPY FOR THE TREATMENT OF DIABETES MERCK & CO., INC. (US) 2004-12-23 WO disclosed
WO-2004110368-A2 COMBINATION THERAPY FOR THE TREATMENT OF HYPERTENSION MERCK & CO., INC. (US) 2004-12-23 WO disclosed
WO-2004009015-A2 COMBINATION THERAPY FOR THE TREATMENT OF OBESITY MERCK & CO., INC. (US) 2004-01-29 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 (2 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-20200347037-A1 PPAR AGONISTS, COMPOUNDS, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF USE THEREOF PPARG, PPARD, PPARA NISCH 4175/4885MTOR 3100/4885ADK 691/4885
US-11358954-B2 PPAR agonists, compounds, pharmaceutical compositions, and methods of use thereof PPARG, PPARD, PPARA NISCH 4175/4885MTOR 3100/4885ADK 691/4885

“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.