SCHEMBL1491320

SCHEMBL1491320

O=C(O)C1NCCc2c1[nH]c1ccccc21

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAPKAPK2 P49137 11/20 1.00
MAPKAPK5 Q8IW41 1/20 0.63
HTR7 P34969 2/20 0.62
CYP3A4 P08684 1/20 0.62
CYP2D6 P10635 1/20 0.62
CYP2C19 P33261 1/20 0.62
GRIN2B Q13224 1/20 0.57
DRD2 P14416 1/20 0.56
PRMT5 O14744 2/20 0.55
EGFR P00533 2/20 0.55
SIRT1 Q96EB6 1/20 0.52

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
SCHEMBL21465236 1.00 MAPKAPK2 (1.00) MAPKAPK2MAPKAPK5HTR7CYP3A4CYP2D6
SCHEMBL12395388 1.00 MAPKAPK2 (1.00) MAPKAPK2MAPKAPK5HTR7CYP3A4CYP2D6
Hydrochloric Acid SCHEMBL10406908 0.99 MAPKAPK2 (0.97) MAPKAPK2MAPKAPK5HTR7CYP3A4CYP2D6
SCHEMBL28439443 0.87 MAPKAPK2 (0.77) MAPKAPK2MAPKAPK5HTR7CYP3A4CYP2D6
SCHEMBL9696707 0.87 MAPKAPK2 (0.77) MAPKAPK2MAPKAPK5HTR7CYP3A4CYP2D6
SCHEMBL29264061 0.84 MAPKAPK2 (0.72) MAPKAPK2MAPKAPK5HTR7CYP3A4CYP2D6
SCHEMBL28918986 0.83 MAPKAPK2 (0.71) MAPKAPK2HTR7CYP3A4CYP2D6CYP2C19
SCHEMBL1491406 0.83 MAPKAPK2 (0.71) MAPKAPK2MAPKAPK5HTR7CYP3A4CYP2D6
Hydrochloric Acid SCHEMBL28201946 0.82 MAPKAPK2 (0.70) MAPKAPK2MAPKAPK5HTR7CYP3A4CYP2D6
SCHEMBL19412092 0.82 MAPKAPK2 (0.69) MAPKAPK2MAPKAPK5HTR7CYP3A4CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10751330-B2 Human therapeutic agents ANKH LIFE SCIENCES LIMITED (IE) 2020-08-25 US claimed
US-20200147061-A1 HUMAN THERAPEUTIC AGENTS ANKH LIFE SCIENCES LIMITED (IE) 2020-05-14 US claimed
CN-109456319-A A kind of preparation and purposes of CDK4 inhibitor 兰州大学 2019-03-12 CN claimed
US-10092550-B2 Therapeutic compositions containing curcumin, harmine, and isovanillin components, and methods of use thereof IONS PHARMACEUTICAL S.À R.L. (LU) 2018-10-09 US claimed
US-20170105975-A1 THERAPEUTIC COMPOSITIONS CONTAINING HARMINE AND ISOVANILLIN COMPONENTS, AND METHODS OF USE THEREOF IONS PHARMACEUTICAL S.À R.L. (LU) 2017-04-20 US claimed
US-20170042865-A1 THERAPEUTIC COMPOSITIONS CONTAINING CURCUMIN, HARMINE, AND ISOVANILLIN COMPONENTS, AND METHODS OF USE THEREOF IONS PHARMACEUTICAL S.À R.L. (LU) 2017-02-16 US claimed
US-12592370-B2 Screening with mass spectrometry for mycobacteria prior to cardiothoracic surgery IMPERIAL COLLEGE INNOVATIONS LIMITED (GB) 2026-03-31 US disclosed
US-12545944-B2 Method of detection IMPERIAL COLLEGE INNOVATIONS LIMITED (GB) 2026-02-10 US disclosed
US-20240390294-A1 INHIBITION OF COVID-19 VIRUS BY MULTIPLE-COMPONENT FORMULATIONS ANKH LIFE SCIENCES LIMITED (IE) 2024-11-28 US disclosed
US-20240285592-A1 HUMAN THERAPEUTIC AGENTS ANKH LIFE SCIENCES LIMITED (IE) 2024-08-29 US disclosed
US-12053440-B2 Inhibition of COVID-19 virus by formulations containing curcumin, harmine, and isovanillin ANKH LIFE SCIENCES LIMITED (IE) 2024-08-06 US disclosed
US-11951099-B2 Methods for treating plasma cell neoplasm with human therapeutic agents ANKH LIFE SCIENCES LIMITED (IE) 2024-04-09 US disclosed
US-20230135821-A1 SCREENING WITH MASS SPECTROMETRY FOR MYCOBACTERIA PRIOR TO CARDIOTHORACIC SURGERY IMPERIAL COLLEGE INNOVATIONS LIMITED (GB) 2023-05-04 US disclosed
US-5554756-A PROTEASE INHIBITOR HOFFMANN-LA ROCHE INC. (US) 1996-09-10 US disclosed
US-5446161-A Protease inhibitor, viricides HOFFMANN-LA ROCHE INC. (US) 1995-08-29 US disclosed
EP-0346847-B1 Amino acid derivatives HOFFMANN LA ROCHE (CH) 1994-05-11 EP disclosed
US-5157041-A Viricides HOFFMANN-LA ROCHE INC. (US) 1992-10-20 US disclosed
US-4978669-A ALTERING MACRONUTRIENT PREFERENCE NEUREX CORPORATION (US) 1990-12-18 US disclosed
WO-1990003168-A1 METHOD FOR MODIFYING FEEDING BEHAVIOR NEUREX CORPORATION (US) 1990-04-05 WO disclosed
EP-0346847-A2 Amino acid derivatives F. HOFFMANN-LA ROCHE AG (CH) 1989-12-20 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 (11 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-11951099-B2 Methods for treating plasma cell neoplasm with human therapeutic agents MCL1, CD44, INMT MAPKAPK2 3991/4885MAPKAPK5 3741/4885HTR7 904/4885
US-10751330-B2 Human therapeutic agents INMT, HNMT, HASPIN MAPKAPK2 3624/4885MAPKAPK5 3577/4885HTR7 76/4885
US-20240285592-A1 HUMAN THERAPEUTIC AGENTS INMT, NLN, MYC MAPKAPK2 3175/4885MAPKAPK5 3524/4885HTR7 125/4885
US-20170042865-A1 THERAPEUTIC COMPOSITIONS CONTAINING CURCUMIN, HARMINE, AND ISOVANILLIN COMPONENTS, AND METHODS OF USE THEREOF INMT, HNMT, CPT1A MAPKAPK2 3520/4885MAPKAPK5 3279/4885HTR7 96/4885
US-12592370-B2 Screening with mass spectrometry for mycobacteria prior to cardiothoracic surgery FABP3, ACADM, TST MAPKAPK2 3363/4885MAPKAPK5 1820/4885HTR7 3620/4885
US-12545944-B2 Method of detection PHOSPHO1, NAAA, LIPA MAPKAPK2 2731/4885MAPKAPK5 1821/4885HTR7 2096/4885
US-10092550-B2 Therapeutic compositions containing curcumin, harmine, and isovanillin components, and methods of use thereof INMT, HNMT, CPT1A MAPKAPK2 3520/4885MAPKAPK5 3279/4885HTR7 96/4885
US-12053440-B2 Inhibition of COVID-19 virus by formulations containing curcumin, harmine, and isovanillin MAVS, IDO2, IDO1 MAPKAPK2 2897/4885MAPKAPK5 3678/4885HTR7 121/4885
US-20170105975-A1 THERAPEUTIC COMPOSITIONS CONTAINING HARMINE AND ISOVANILLIN COMPONENTS, AND METHODS OF USE THEREOF INMT, HNMT, COMT MAPKAPK2 3472/4885MAPKAPK5 3040/4885HTR7 29/4885
US-20200147061-A1 HUMAN THERAPEUTIC AGENTS INMT, HNMT, HASPIN MAPKAPK2 3624/4885MAPKAPK5 3577/4885HTR7 76/4885
US-20240390294-A1 INHIBITION OF COVID-19 VIRUS BY MULTIPLE-COMPONENT FORMULATIONS MAVS, IDO2, IDO1 MAPKAPK2 2904/4885MAPKAPK5 3469/4885HTR7 106/4885

“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.