SCHEMBL1106522

SCHEMBL1106522

CC(C)n1cnccc1=O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
MAPK13 O15264 1/20 0.36
MAPK12 P53778 1/20 0.36
MAPK11 Q15759 1/20 0.36
MAPK14 Q16539 1/20 0.36
DYRK1A Q13627 2/20 0.35
GSK3B P49841 2/20 0.35
NFATC1 O95644 1/20 0.35
BMPR1A P36894 6/20 0.35
ACVRL1 P37023 6/20 0.35
ACVR1 Q04771 6/20 0.35
BMPR1B O00238 5/20 0.35
TGFBR1 P36897 5/20 0.35
USP7 Q93009 1/20 0.33
ALDH1A1 P00352 2/20 0.33
PKN1 Q16512 1/20 0.33
PKN2 Q16513 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33

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
SCHEMBL14733934 0.83 CYP3A4 (0.41) CYP3A4CYP2C9CYP2C19GSK3BALDH1A1
SCHEMBL22108984 0.83 CYP3A4 (0.41) CYP3A4CYP2C9CYP2C19GSK3BALDH1A1
SCHEMBL9963202 0.83 CYP3A4 (0.41) CYP3A4CYP2C9CYP2C19GSK3BALDH1A1
SCHEMBL20083791 0.82 CYP3A4 (0.40) CYP3A4CYP2C9CYP2C19GSK3BALDH1A1
SCHEMBL1727253 0.79 CYP3A4 (0.48) CYP3A4CYP2C9CYP2C19USP7ALDH1A1
SCHEMBL11983398 0.79 CYP3A4 (0.44) CYP3A4CYP2C9CYP2C19USP7ALDH1A1
SCHEMBL1698523 0.74 TDP1 (0.40) MAPK13MAPK12MAPK11MAPK14DYRK1A
SCHEMBL31010484 0.71 CYP3A4 (0.36) CYP3A4CYP2C9CYP2C19ALDH1A1SMN1; SMN2
SCHEMBL762378 0.70
SCHEMBL9963196 0.69 ALDH1A1 (0.43) CYP3A4DYRK1ABMPR1AACVRL1ACVR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240228469-A1 PCSK9 INHIBITORS AND METHODS OF USE THEREOF ASTRAZENECA AB (SE) 2024-07-11 US disclosed
US-20240217951-A1 PCSK9 INHIBITORS AND METHODS OF USE THEREOF ASTRAZENECA AB (SE) 2024-07-04 US disclosed
EP-4393920-A1 AROMATIC RING-CONTAINING BIOLOGICAL ANTAGONIST, AND PREPARATION METHOD THEREFOR AND USE THEREOF Shanghai Hansoh Biomedical Co., Ltd. (CN) 2024-07-03 EP disclosed
WO-2024126773-A1 IMIDAZO[4,5-B]PYRIDINE DERIVATIVES AS PCSK9 INHIBITORS AND METHODS OF USE THEREOF ASTRAZENECA AB (SE) 2024-06-20 WO disclosed
WO-2024062090-A1 PCSK9 INHIBITORS AND METHODS OF USE THEREOF ASTRAZENECA AB (SE) 2024-03-28 WO disclosed
US-20230382864-A1 PYRIDINONE MK2 INHIBITORS AND USES THEREOF XINTHERA, INC. 2023-11-30 US disclosed
US-20230382864-A1 PYRIDINONE MK2 INHIBITORS AND USES THEREOF XINTHERA, INC. 2023-11-30 US disclosed
US-11685719-B2 Pyridinone MK2 inhibitors and uses thereof XINTHERA, INC. (US) 2023-06-27 US disclosed
US-11685719-B2 Pyridinone MK2 inhibitors and uses thereof XINTHERA, INC. (US) 2023-06-27 US disclosed
WO-2023109944-A1 TLR MODULATOR AND USE THEREOF 映恩生物制药(苏州)有限公司 2023-06-22 WO disclosed
US-7767697-B2 Factor Xa inhibitors MILLENNIUM PHARMACEUTICALS, INC. (US) 2010-08-03 US disclosed
US-7763608-B2 Factor Xa inhibitors MILLENNIUM PHARMACEUTICALS, INC. (US) 2010-07-27 US disclosed
US-20090298806-A1 FACTOR XA INHIBITORS MILLENNIUM PHARMACEUTICALS, INC. 2009-12-03 US disclosed
WO-2009143156-A2 IMIDAZO[1,2-a]PYRIDINE COMPOUNDS SEPRACOR INC. (US) 2009-11-26 WO disclosed
US-7521470-B2 Factor Xa inhibitors MILLENNIUM PHARMACEUTICALS, INC. (US) 2009-04-21 US disclosed
US-7521470-B2 Factor Xa inhibitors MILLENNIUM PHARMACEUTICALS, INC. (US) 2009-04-21 US disclosed
US-20090030045-A1 FACTOR XA INHIBITORS MILLENNIUM PHARMACEUTICALS, INC. 2009-01-29 US disclosed
US-20080234301-A1 Alpha-4 Integrin Mediated Cell Adhesion Inhibitors for the Treatment or Prevention of Inflammatory Diseases MITSUBISHI TANABE PHARMA CORPORATION (JP) 2008-09-25 US disclosed
US-20080090794-A1 Potassium Channel Inhibitors MERCK SHARP & DOHME LLC 2008-04-17 US disclosed
US-20070259924-A1 FACTOR XA INHIBITORS MILLENNIUM PHARMACEUTICALS, INC. 2007-11-08 US 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 (9 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-20090030045-A1 FACTOR XA INHIBITORS TFPI, F12, F11 CYP3A4 94/4885CYP2C9 37/4885CYP2C19 41/4885
US-20230382864-A1 PYRIDINONE MK2 INHIBITORS AND USES THEREOF ENPP2, PLP2, PDXK CYP3A4 2251/4885CYP2C9 2754/4885CYP2C19 1723/4885
US-20090298806-A1 FACTOR XA INHIBITORS TFPI, F12, F11 CYP3A4 120/4885CYP2C9 51/4885CYP2C19 75/4885
US-20080234301-A1 Alpha-4 Integrin Mediated Cell Adhesion Inhibitors for the Treatment or Prevention of Inflammatory Diseases ITGB4, ITGA4, ICAM1 CYP3A4 1176/4885CYP2C9 4241/4885CYP2C19 3687/4885
US-20080090794-A1 Potassium Channel Inhibitors KCNJ2, KCNQ2, KCNH2 CYP3A4 1526/4885CYP2C9 2201/4885CYP2C19 3318/4885
US-20240228469-A1 PCSK9 INHIBITORS AND METHODS OF USE THEREOF PCSK9, PCSK7, PCSK6 CYP3A4 1426/4885CYP2C9 842/4885CYP2C19 905/4885
US-20240217951-A1 PCSK9 INHIBITORS AND METHODS OF USE THEREOF PCSK9, PCSK7, PCSK6 CYP3A4 1493/4885CYP2C9 974/4885CYP2C19 1128/4885
US-20070259924-A1 FACTOR XA INHIBITORS TFPI, F12, F11 CYP3A4 94/4885CYP2C9 37/4885CYP2C19 41/4885
US-11685719-B2 Pyridinone MK2 inhibitors and uses thereof ENPP2, PLP2, PDXK CYP3A4 2251/4885CYP2C9 2754/4885CYP2C19 1723/4885

“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.