SCHEMBL360601

SCHEMBL360601

CCc1ccc(-c2ccccc2C#N)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 1/20 0.59
PPARG P37231 2/20 0.54
CYP2A6 P11509 1/20 0.48
GSK3B P49841 2/20 0.48
GRIA2 P42262 1/20 0.48
GRIA4 P48058 1/20 0.48
GSK3A P49840 1/20 0.48
FFAR1 O14842 1/20 0.47
AKR1B1 P15121 1/20 0.47
PTPN5 P54829 1/20 0.46
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2D6 P10635 1/20 0.45
CYP2C9 P11712 1/20 0.45
HPGD P15428 1/20 0.45
CYP2C19 P33261 1/20 0.45
PDE9A O76083 1/20 0.44
ACHE P22303 2/20 0.44
PRKAG1 P54619 2/20 0.44
PRKAA1 Q13131 2/20 0.44

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
SCHEMBL6961928 0.86 PPARG (0.59) ESR2PPARGGSK3BGRIA2GRIA4
SCHEMBL1713 0.83 ESR2 (0.67) ESR2PPARGGSK3BGRIA2GRIA4
SCHEMBL2692039 0.83 PPARG (0.53) ESR2PPARGGRIA2GRIA4FFAR1
SCHEMBL7435402 0.82 ESR2 (0.56) ESR2PPARGGSK3BGSK3AFFAR1
SCHEMBL31410710 0.82 ESR2 (0.76) ESR2PPARGGSK3BGRIA2GRIA4
SCHEMBL4253889 0.82 HSD17B10 (0.58) ESR2PPARGFFAR1AKR1B1CYP3A4
SCHEMBL7867991 0.81 ESR2 (0.59) ESR2PPARGGSK3BGSK3AFFAR1
SCHEMBL357 0.81 ESR2 (0.59) ESR2PPARGGSK3BGSK3AFFAR1
SCHEMBL3169219 0.81 ESR2 (0.59) ESR2PPARGGSK3BGSK3AFFAR1
SCHEMBL9542596 0.81 ESR2 (0.59) ESR2PPARGGSK3BGSK3AFFAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240025919-A1 AZA-TETRACYCLIC OXAZEPINE COMPOUNDS AND USES THEREOF GENENTECH, INC. 2024-01-25 US disclosed
US-20230286997-A1 Compounds for the Treatment of Cancer and Inflammatory Disease SHY Therapeutics LLC 2023-09-14 US disclosed
WO-2023148748-A1 AN IMPROVED SAFE PROCESS FOR THE PREPARATION OF SARTAN DRUGS OF FORMULA I IOL CHEMICALS AND PHARMACEUTICALS LIMITED (IN) 2023-08-10 WO disclosed
US-20230183286-A1 NOVEL 3' END CAPS, 5' END CAPS AND COMBINATIONS THEREOF FOR THERAPEUTIC RNA NOVARTIS AG (CH) 2023-06-15 US disclosed
US-20230183286-A1 NOVEL 3' END CAPS, 5' END CAPS AND COMBINATIONS THEREOF FOR THERAPEUTIC RNA NOVARTIS AG (CH) 2023-06-15 US disclosed
EP-3904366-A1 END CAPPED NUCLEIC ACID MOLECULES Novartis AG (CH) 2021-11-03 EP disclosed
US-11040028-B2 Penicinotam derivative, preparation method and use thereof OCEAN UNIVERSITY OF CHINA (CN) 2021-06-22 US disclosed
WO-2021119249-A1 CYCLOPHILIN D INHIBITORS AND USES THEREOF THE BROAD INSTITUTE, INC. (US) 2021-06-17 WO disclosed
US-11026930-B1 Compounds that interact with the Ras superfamily for the treatment of cancers, inflammatory diseases, rasopathies, and fibrotic disease SHY Therapeutics LLC (US) 2021-06-08 US disclosed
EP-3394056-B1 COMPOUNDS FOR THE TREATMENT OF CANCER AND INFLAMMATORY DISEASE SHY Therapeutics LLC (US) 2021-04-14 EP disclosed
US-20070167506-A1 SUBSTITUTED IMIDAZOLES PFIZER INC. (US) 2007-07-19 US disclosed
US-20070142384-A1 Compounds, pharmaceutical compositions and methods for use in treating metabolic disorders AMGEN INC. (US) 2007-06-21 US disclosed
US-20070043098-A1 Process for the preparation of tetrazole derivatives from organo boron and organo aluminium azides NOVARTIS PHARMACEUTICALS CORPORATION 2007-02-22 US disclosed
WO-2004087676-A1 METHOD FOR THE PRODUCTION OF TELMISARTAN BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2004-10-14 WO disclosed
EP-0711762-B1 PROCESS FOR PRODUCING TETRAZOLE COMPOUNDS SUMITOMO CHEMICAL CO (JP) 2003-08-06 EP disclosed
US-6277998-B1 REACTING 2-CYANO-4-OXO-4H-BENZOPYRAN COMPOUND WITH HYDROGEN SULFIDE AND THEN REACTING PROUDCT WITH ALKYL HALIDE; REACTING THE PRODUCT WITH HYDRAZINE OR ITS SALT AND THEN WITH NITROUS ACID COMPOUND TO OBTAIN TETRAZOLE COMPOUND SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2001-08-21 US disclosed
US-6191289-B1 REACTING A 4-OXO-4H-BENZOPYRAN GROUP SUBSTITUTED WITH AMIDE OR A PHENYL GROUP IN ITS 2 POSITION IS REACTED WITH ANHYDROUS HYDRAZINE OR SALT IN PRESENCE OF CATALYST FOLLOWED BY REACTING WITH NITROUS ACID OR SALT TO FORM TETRAZOLE COMPOUND SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2001-02-20 US disclosed
US-5874593-A SULFUR CONTAINING AMIDE SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1999-02-23 US disclosed
EP-0711762-A1 PROCESS FOR PRODUCING TETRAZOLE COMPOUND AND INTERMEDIATE THEREFOR SUMITOMO CHEMICAL COMPANY LIMITED (JP) 1996-05-15 EP disclosed
EP-0426021-A1 Condensed imidazole derivatives and processes for preparation thereof FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1991-05-08 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 (8 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-20070043098-A1 Process for the preparation of tetrazole derivatives from organo boron and organo aluminium azides ABL1, TBCA, TBC1D5 ESR2 4326/4885PPARG 2898/4885CYP2A6 682/4885
US-20230183286-A1 NOVEL 3' END CAPS, 5' END CAPS AND COMBINATIONS THEREOF FOR THERAPEUTIC RNA RNGTT, NSUN2, NSUN3 ESR2 3987/4885PPARG 4606/4885CYP2A6 4692/4885
US-20230286997-A1 Compounds for the Treatment of Cancer and Inflammatory Disease MAPK6, MAP3K6, MAPK4 ESR2 296/4885PPARG 249/4885CYP2A6 3943/4885
US-20240025919-A1 AZA-TETRACYCLIC OXAZEPINE COMPOUNDS AND USES THEREOF AZI2, TET3, OXA1L ESR2 1635/4885PPARG 1682/4885CYP2A6 1444/4885
US-20070167506-A1 SUBSTITUTED IMIDAZOLES ABL1, TYR, CYP3A4 ESR2 4581/4885PPARG 2423/4885CYP2A6 81/4885
US-20070142384-A1 Compounds, pharmaceutical compositions and methods for use in treating metabolic disorders PNLIP, IAPP, GPR119 ESR2 1821/4885PPARG 150/4885CYP2A6 209/4885
US-11026930-B1 Compounds that interact with the Ras superfamily for the treatment of cancers, inflammatory diseases, rasopathies, and fibrotic disease HRAS, KRAS, NRAS ESR2 1685/4885PPARG 1686/4885CYP2A6 4520/4885
US-11040028-B2 Penicinotam derivative, preparation method and use thereof TPMT, MAPT, TLR4 ESR2 3310/4885PPARG 2640/4885CYP2A6 236/4885

“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.