SCHEMBL82741

SCHEMBL82741

c1ccc(-c2cn[nH]c2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
AKT2 P31751 7/20 1.00
AKT1 P31749 2/20 1.00
ROCK2 O75116 4/20 0.58
ILK Q13418 1/20 0.52
CHEK1 O14757 2/20 0.51
PIM1 P11309 1/20 0.51
CHEK2 O96017 1/20 0.51
CLK2 P49760 2/20 0.51
HIPK1 Q86Z02 2/20 0.51
HIPK2 Q9H2X6 2/20 0.51
HIPK3 Q9H422 2/20 0.51
CLK4 Q9HAZ1 2/20 0.51
CLK1 P49759 1/20 0.51
DYRK2 Q92630 1/20 0.50
IDO1 P14902 1/20 0.46
METAP2 P50579 1/20 0.46
KEAP1 Q14145 1/20 0.46
FYN P06241 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
Benzene SCHEMBL28198087 1.00 AKT2 (1.00) AKT2AKT1ROCK2ILKCHEK1
Hydrochloric Acid SCHEMBL72435 0.98 AKT2 (0.95) AKT2AKT1ROCK2ILKCHEK1
SCHEMBL16872766 0.98 AKT2 (0.95) AKT2AKT1ROCK2ILKCHEK1
SCHEMBL15606681 0.93 AKT2 (0.87) AKT2AKT1ROCK2ILKCHEK1
SCHEMBL28941664 0.93 AKT2 (0.87) AKT2AKT1ROCK2ILKCHEK1
Phenol SCHEMBL27544955 0.89 AKT2 (0.80) AKT2AKT1ROCK2ILKCHEK1
SCHEMBL15689115 0.87 AKT2 (0.76) AKT2AKT1ROCK2ILKPIM1
SCHEMBL16432987 0.87 AKT2 (0.76) AKT2AKT1ROCK2ILKPIM1
SCHEMBL28552255 0.84 AKT2 (0.72) AKT2AKT1ROCK2ILKCHEK1
SCHEMBL3740850 0.84 AKT2 (0.70) AKT2AKT1ROCK2ILKCHEK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118185037-A Cu metal organic framework material, preparation method and ammonia adsorption application 北京工业大学 2024-06-14 CN claimed
CN-117865422-B Treatment process and system for softening high-salt negative hard wastewater and volatile organic compounds 杭州水处理技术研究开发中心有限公司 2024-05-28 CN claimed
CN-115368249-B Synthesis method of acryloyloxyethyl trimethyl ammonium chloride 浙江鑫甬生物化工股份有限公司 2024-05-28 CN claimed
CN-117865422-A Treatment process and system for softening high-salt negative hard wastewater and volatile organic compounds 杭州水处理技术研究开发中心有限公司 2024-04-12 CN claimed
CN-114933539-B Synthesis method of methacryloyloxyethyl trimethyl ammonium chloride 浙江鑫甬生物化工股份有限公司 2024-03-19 CN claimed
CN-117065519-A Method for capturing carbon dioxide by using ionic liquid composite absorbent 浙江天地环保科技股份有限公司 2023-11-17 CN claimed
CN-116139936-B Carbonic anhydrase artificial enzyme and preparation method and application thereof 四川大学 2023-07-04 CN claimed
CN-116139936-A Carbonic anhydrase artificial enzyme and preparation method and application thereof 四川大学 2023-05-23 CN claimed
CN-113929919-B Ni and Ba bimetal MOFs, preparation method and application 西安近代化学研究所 2022-12-13 CN claimed
CN-115368249-A Synthesis method of acryloyloxyethyltrimethyl ammonium chloride 浙江鑫甬生物化工股份有限公司 2022-11-22 CN claimed
WO-2005051917-A9 PYRAZOLYL DERIVATIVES IN THE FORM OF DRUGS FOR TREATING ACUTE OR CHRONIC NEURONAL REGRESSIONS AVENTIS PHARMA SA (FR) 2005-09-29 WO claimed
US-20050165005-A1 Pyrazolyl derivatives, preparation process and intermediates of this process as medicinal products and pharmaceutical compositions containing them AVENTIS PHARMA S.A. (FR) 2005-07-28 US claimed
WO-2005051917-A1 PYRAZOLYL DERIVATIVES IN THE FORM OF DRUGS FOR TREATING ACUTE OR CHRONIC NEURONAL REGRESSIONS AVENTIS PHARMA S.A. (FR) 2005-06-09 WO claimed
EP-1435957-A4 INHIBITORS OF GSK-3 AND CRYSTAL STRUCTURES OF GSK-3BETA PROTEIN AND PROTEIN COMPLEXES VERTEX PHARMA (US) 2005-04-13 EP claimed
EP-1435957-A2 INHIBITORS OF GSK-3 AND CRYSTAL STRUCTURES OF GSK-3BETA PROTEIN AND PROTEIN COMPLEXES Vertex Pharmaceuticals Incorporated (US) 2004-07-14 EP claimed
WO-2002088078-A2 INHIBITORS OF GSK-3 AND CRYSTAL STRUCTURES OF GSK-3β PROTEIN AND PROTEIN COMPLEXES VERTEX PHARMACEUTICALS INCORPORATED (US) 2002-11-07 WO claimed
US-5840913-A CATALYTIC N-ALKYLATION OF A PYRAZOLE BY REACTING WITH AN ALCOHOL; LIQUID PHASE; NON-HETEROGENOUS ACID CATALYSTS BASF AKTIENGESELLSCHAFT (DE) 1998-11-24 US claimed
US-5468871-A Catalytic N-alkylation BASF AKTIENGESELLSCHAFT (DE) 1995-11-21 US claimed
US-4662905-A REACTION PRODUCT OF COPPER SALT AND AN IMIDAZOLE, PYRAZOLE, TRIAZOLE, OR TETRAZOLE Itaru Todoriki, Director of Agency of Industrial Science and Technology (JP) 1987-05-05 US claimed
US-4321395-A Preparation of acetanilides BASF AKTIENGESELLSCHAFT (DE) 1982-03-23 US claimed

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-20050165005-A1 Pyrazolyl derivatives, preparation process and intermediates of this process as medicinal products and pharmaceutical compositions containing them C1R, CBR3, C3AR1 AKT2 968/4885AKT1 1696/4885ROCK2 3216/4885

“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.