SCHEMBL5961561

SCHEMBL5961561

Cc1nn(C)c(N)c1C=O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.42
MAPT P10636 1/20 0.40
GAA P10253 3/20 0.39
ALDH1A1 P00352 3/20 0.39
CYP1A2 P05177 2/20 0.39
CYP2C9 P11712 2/20 0.39
CYP2C19 P33261 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.37
CDK8 P49336 2/20 0.36
ACVR1 Q04771 2/20 0.36
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
LMNA P02545 1/20 0.33
HTT P42858 1/20 0.33
KDM4E B2RXH2 2/20 0.32
DAPK3 O43293 1/20 0.32
PRKD3 O94806 1/20 0.32
MAP4K4 O95819 1/20 0.32
PRKACA P17612 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
SCHEMBL211332 0.77 ALDH1A1 (0.55) SMN1; SMN2MAPTGAAALDH1A1CYP1A2
SCHEMBL1357311 0.74 SMN1; SMN2 (0.42) SMN1; SMN2MAPTGAAALDH1A1CYP1A2
SCHEMBL766122 0.74 L3MBTL1 (0.58) SMN1; SMN2MAPTGAAALDH1A1CYP1A2
SCHEMBL29956155 0.74 SMN1; SMN2 (0.42) SMN1; SMN2MAPTGAAALDH1A1CYP1A2
SCHEMBL4444015 0.74 ALDH1A1 (0.47) SMN1; SMN2MAPTGAAALDH1A1CYP1A2
SCHEMBL7305154 0.71 PKM (0.43) PKMMAPTGAAALDH1A1CYP2C19
SCHEMBL12304006 0.71 SMN1; SMN2 (0.41) SMN1; SMN2GAAALDH1A1CYP1A2CYP2C9
SCHEMBL4682271 0.71 SMN1; SMN2 (0.55) SMN1; SMN2MAPTGAAALDH1A1CYP1A2
SCHEMBL19272985 0.70 POLB (0.37)
SCHEMBL21393341 0.69 SMN1; SMN2 (0.40) SMN1; SMN2GAAALDH1A1CYP1A2CYP2C9

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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4408824-A1 NOVEL INHIBITORS OF CORONAVIRUSES 3-CHYMOTRYPSIN-LIKE PROTEASE Qubit Pharmaceuticals (FR) 2024-08-07 EP disclosed
WO-2023052638-A1 NOVEL INHIBITORS OF CORONAVIRUSES 3-CHYMOTRYPSIN-LIKE PROTEASE QUBIT PHARMACEUTICALS (FR) 2023-04-06 WO disclosed
CN-1297555-C antagonists of MCP-1 function and methods of use thereof TELIK INC (US) 2007-01-31 CN disclosed
US-6992086-B2 Antagonists of MCP-1 function and methods of use thereof TELIK, INC. (US) 2006-01-31 US disclosed
US-6962926-B2 Antagonist of MCP-1 function, and compositions and methods of use thereof TELIK, INC. (US) 2005-11-08 US disclosed
US-20040198719-A1 Antagonist of MCP-1 function, and compositions and methods of use thereof SANWA KAGAKU KENKYUSHO CO., LTD. (JP) 2004-10-07 US disclosed
CN-1527831-A Antagonists of MCP-q function and method of use thereof ̩ 2004-09-08 CN disclosed
US-20040077680-A1 Antagonists of MCP-1 function and methods of use thereof TELIK, INC. 2004-04-22 US disclosed
US-6670364-B2 For example (1,3-dimethylpyrazolo(5,4-b)pyridin-5-yl)-N-(((4-fluorophenyl) amino)carbonyl)-carboxamide; useful in prevention or treatment of chronic or acute inflammatory or autoimmune diseases TELIK, INC. 2003-12-30 US disclosed
EP-1358188-A2 ANTAGONISTS OF MCP-1 FUNCTION AND METHODS OF USE THEREOF TELIK, INC. (US) 2003-11-05 EP disclosed
US-20030096705-A1 Antagonists of MCP-1 function and methods of use thereof SANWA KAGAKU KENKYUSHO CO., LTD. (JP) 2003-05-22 US disclosed
WO-2002060900-A2 ANTAGONISTS OF MCP-1 FUNCTION AND METHODS OF USE THEREOF TELIK, INC. (US) 2002-08-08 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-20040077680-A1 Antagonists of MCP-1 function and methods of use thereof CCR2, CCR1, CCL2 PKM 2756/4885SMN1; SMN2 3238/4885MAPT 2191/4885
US-20030096705-A1 Antagonists of MCP-1 function and methods of use thereof CCR2, CCR1, CCL2 PKM 2756/4885SMN1; SMN2 3238/4885MAPT 2191/4885
US-20040198719-A1 Antagonist of MCP-1 function, and compositions and methods of use thereof CCR1, CCL11, CCL2 PKM 4353/4885SMN1; SMN2 2505/4885MAPT 3369/4885

“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.