SCHEMBL410058

SCHEMBL410058

Cc1c(C=O)cccc1OCc1ccccc1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.69
L3MBTL1 Q9Y468 3/20 0.69
TDP1 Q9NUW8 2/20 0.69
MAPK1 P28482 1/20 0.69
CCNB2 O95067 1/20 0.58
CDK1 P06493 1/20 0.58
CDK4 P11802 1/20 0.58
CCNB1 P14635 1/20 0.58
CCND1 P24385 1/20 0.58
CCNB3 Q8WWL7 1/20 0.58
ERN1 O75460 2/20 0.52
LIPE Q05469 1/20 0.50
PTGER1 P34995 2/20 0.49
PTGER4 P35408 1/20 0.49
PTGER3 P43115 1/20 0.49
PTGER2 P43116 1/20 0.49
SMN1; SMN2 Q16637 3/20 0.49
ALDH1A1 P00352 1/20 0.49
HPGD P15428 1/20 0.49
HTT P42858 1/20 0.49

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
SCHEMBL15668933 0.87 MAPT (0.59) MAPTL3MBTL1TDP1MAPK1CCNB2
SCHEMBL19647572 0.86 TDP1 (0.50) MAPTL3MBTL1TDP1MAPK1CCNB2
SCHEMBL29537861 0.84 CCNB2 (0.72) MAPTL3MBTL1TDP1MAPK1CCNB2
SCHEMBL433401 0.84 CCNB2 (0.72) MAPTL3MBTL1TDP1MAPK1CCNB2
SCHEMBL4294807 0.84 CCNB2 (0.55) MAPTL3MBTL1TDP1MAPK1CCNB2
SCHEMBL21333909 0.84 MAOB (0.53) MAPTL3MBTL1TDP1MAPK1SMN1; SMN2
Fluoride SCHEMBL27920182 0.83 CCNB2 (0.70) MAPTL3MBTL1TDP1MAPK1CCNB2
SCHEMBL19612191 0.82 MAPT (1.00) MAPTL3MBTL1TDP1MAPK1LIPE
SCHEMBL1050281 0.82 CCNB2 (0.59) MAPTL3MBTL1TDP1MAPK1CCNB2
SCHEMBL768568 0.82 MAPT (0.53) MAPTL3MBTL1TDP1MAPK1CCNB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117794526-A Compositions and methods for antioxidants and anti-inflammatory therapeutics 阿万蒂生物科学股份有限公司 2024-03-29 CN disclosed
EP-4180424-A1 SUBSTITUTED PYRAZOLES AS HUMAN PLASMA KALLIKREIN INHIBITORS BioCryst Pharmaceuticals, Inc. (US) 2023-05-17 EP disclosed
CN-107406457-B Piperidine derivative, preparation method and medical application thereof 江苏恒瑞医药股份有限公司 2019-02-01 CN disclosed
US-20180170943-A1 PIPERIDINE DERIVATIVE AND PREPARATION METHOD AND PHARMACEUTICAL USE THEREOF JIANGSU HENGRUI MEDICINE CO., LTD. (CN) 2018-06-21 US disclosed
US-20180170943-A1 PIPERIDINE DERIVATIVE AND PREPARATION METHOD AND PHARMACEUTICAL USE THEREOF JIANGSU HENGRUI MEDICINE CO., LTD. (CN) 2018-06-21 US disclosed
US-20180111929-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON INC (US) 2018-04-26 US disclosed
US-20180111929-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON INC (US) 2018-04-26 US disclosed
US-20180111929-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON INC (US) 2018-04-26 US disclosed
EP-3312184-A1 PIPERIDINE DERIVATIVE AND PREPARATION METHOD AND PHARMACEUTICAL USE THEREOF Jiangsu Hengrui Medicine Co., Ltd. (CN) 2018-04-25 EP disclosed
CN-107406457-A Piperidine derivative, preparation method and medical application thereof 江苏恒瑞医药股份有限公司 2017-11-28 CN disclosed
US-20080221148-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON INC 2008-09-11 US disclosed
US-20080221148-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON INC 2008-09-11 US disclosed
CN-101243084-A Pyrrolo [2, 3-B ] pyridine derivatives as protein kinase inhibitors PLEXXIKON INC (US) 2008-08-13 CN disclosed
WO-2008080015-A2 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON, INC. (US) 2008-07-03 WO disclosed
WO-2008080015-A2 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON, INC. (US) 2008-07-03 WO disclosed
EP-1893612-A1 PYRROLO [2, 3-B]PYRIDINE DERIVATIVES AS PROTEIN KINASE INHIBITORS PLEXXIKON, INC. (US) 2008-03-05 EP disclosed
WO-2007002325-A1 PYRROLO[2,3-B] PYRIDINE DERIVATIVES AS PROTEIN KINASE INHIBITORS PLEXXIKON, INC. (US) 2007-01-04 WO disclosed
WO-2007002325-A1 PYRROLO[2,3-B] PYRIDINE DERIVATIVES AS PROTEIN KINASE INHIBITORS PLEXXIKON, INC. (US) 2007-01-04 WO disclosed
WO-2007002433-A1 PYRROLO [2, 3-B] PYRIDINE DERIVATIVES AS PROTEIN KINASE INHIBITORS PLEXXIKON, INC. (US) 2007-01-04 WO disclosed
WO-2007002433-A1 PYRROLO [2, 3-B] PYRIDINE DERIVATIVES AS PROTEIN KINASE INHIBITORS PLEXXIKON, INC. (US) 2007-01-04 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 (3 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-20180111929-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR MAP3K20, MAP3K13, MAP3K8 MAPT 2203/4885L3MBTL1 794/4885TDP1 631/4885
US-20080221148-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR MAP3K20, MAP3K13, MAP3K8 MAPT 2203/4885L3MBTL1 794/4885TDP1 631/4885
US-20180170943-A1 PIPERIDINE DERIVATIVE AND PREPARATION METHOD AND PHARMACEUTICAL USE THEREOF GPER1, CYP19A1, PGR MAPT 3960/4885L3MBTL1 4884/4885TDP1 4339/4885

“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.