SCHEMBL844744

SCHEMBL844744

C=C1Nc2ccccc2C1(C)C

nearest known ligand 0.57

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 1/20 0.57
PDK4 Q16654 1/20 0.57
HTR5A P47898 2/20 0.42
KMT2A Q03164 3/20 0.36
MEN1 O00255 1/20 0.36
GAA P10253 1/20 0.36
MAPT P10636 1/20 0.36
LMNA P02545 1/20 0.35
AKR1B1 P15121 4/20 0.34
POLB P06746 2/20 0.33
CASP6 P55212 1/20 0.32

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
SCHEMBL30242138 1.00 PDK2 (0.57) PDK2PDK4HTR5AKMT2AMEN1
SCHEMBL31911 0.80 PDK2 (0.67) PDK2PDK4HTR5AKMT2AMEN1
SCHEMBL29371027 0.80 PDK2 (0.67) PDK2PDK4HTR5AKMT2AMEN1
SCHEMBL20686392 0.78 PDK2 (0.53) PDK2PDK4HTR5AKMT2AMEN1
SCHEMBL28706253 0.78 PDK2 (0.64) PDK2PDK4HTR5AKMT2AMEN1
SCHEMBL12723263 0.73 PDK2 (0.57) PDK2PDK4HTR5AKMT2AMEN1
SCHEMBL11981398 0.73 PDK2 (0.57) PDK2PDK4HTR5AKMT2AMEN1
SCHEMBL319934 0.73 PDK2 (1.00) PDK2PDK4KMT2AMEN1GAA
SCHEMBL29518706 0.73 PDK2 (1.00) PDK2PDK4KMT2AMEN1GAA
Boric Acid SCHEMBL28431171 0.73 PDK2 (0.57) PDK2PDK4HTR5AKMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109721616-A Quino spirooxazine class photochromic compound and preparation method thereof 天津孚信阳光科技有限公司 2019-05-07 CN claimed
CN-106833007-B A kind of environment-friendly preparation method of orange 107 dyestuffs of solvent 安徽清科瑞洁新材料有限公司 2018-12-11 CN claimed
CN-104892631-B Class photochromic compound of spirooxazine containing sulfonic group and its preparation method and application 中国中化股份有限公司 2018-03-02 CN claimed
CN-106833007-A A kind of environment-friendly preparation method of 107 dyestuffs of solvent orange 安徽清科瑞洁新材料有限公司 2017-06-13 CN claimed
CN-118324686-A Diazacyclo compound, cyclic trimethylcyanine compound, preparation methods thereof, imaging agent and application 南京大学 2024-07-12 CN disclosed
EP-3309552-B1 DYE COMPOUND SFC CO LTD (KR) 2024-01-17 EP disclosed
WO-2020060937-A1 NARROW ABSORPTION POLYMER NANOPARTICLES AND RELATED METHODS UNIVERSITY OF WASHINGTON (US) 2020-03-26 WO disclosed
US-20200087305-A1 SUBSTITUTED HETEROCYCLE FUSED GAMMA-CARBOLINES SYNTHESIS INTRA-CELLULAR THERAPIES, INC. (US) 2020-03-19 US disclosed
CN-106833007-B A kind of environment-friendly preparation method of orange 107 dyestuffs of solvent 安徽清科瑞洁新材料有限公司 2018-12-11 CN disclosed
CN-106833007-B A kind of environment-friendly preparation method of orange 107 dyestuffs of solvent 安徽清科瑞洁新材料有限公司 2018-12-11 CN disclosed
EP-2999704-B1 SPIRO[CHROMAN-2,2'-INDOLE]DERIVATIVES AS CYANIDE ION CHEMOSENSORS KAUNAS UNIV OF TECHNOLOGY (LT) 2018-10-10 EP disclosed
CN-105175431-B Bifunctional photochromic compound, synthesis and application thereof 南京工业大学 2018-03-30 CN disclosed
US-5288592-A Transition metal-spirobenzopyran complex, a production process therefor and a photochromic material comprising the complex OTSUKA KAGAKU KABUSHIKI KAISHA (JP) 1994-02-22 US disclosed
US-5252742-A Spiropyran compounds OTSUKA KAGAKU KABUSHIKI KAISHA (JP) 1993-10-12 US disclosed
US-5241027-A MACROMOLECULAR SPIROPYRAN COMPOUNDS OTSUKA KAGAKU KABUSHIKI KAISHA (JP) 1993-08-31 US disclosed
EP-0530369-A1 CRYSTAL COMPRISING INDOLINOSPIROBENZOTHIOPYRAN DERIVATIVE AND RING-OPENING ISOMER THEREOF OTSUKA KAGAKU KABUSHIKI KAISHA (JP) 1993-03-10 EP disclosed
EP-0530371-A1 TRANSITION METAL-SPIROBENZOPYRAN COMPLEX, PRODUCTION THEREOF, AND PHOTOCHROMIC MATERIAL COMPRISING THE SAME OTSUKA KAGAKU KABUSHIKI KAISHA (JP) 1993-03-10 EP disclosed
EP-0529100-A1 INDOLINOSPIROBENZOPYRAN DERIVATIVE OTSUKA KAGAKU KABUSHIKI KAISHA (JP) 1993-03-03 EP disclosed
EP-0466938-A1 HIGH-MOLECULAR SPIROPYRAN COMPOUND OTSUKA KAGAKU KABUSHIKI KAISHA (JP) 1992-01-22 EP disclosed
EP-0411157-A1 SPIROPYRAN COMPOUNDS OTSUKA KAGAKU KABUSHIKI KAISHA (JP) 1991-02-06 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 (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-20200087305-A1 SUBSTITUTED HETEROCYCLE FUSED GAMMA-CARBOLINES SYNTHESIS HCCS, CYCS, CBR3 PDK2 392/4885PDK4 590/4885HTR5A 1095/4885

“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.