SCHEMBL6495263

SCHEMBL6495263

Cc1nn(C)c2nc(OCCN3CCCC3)c(C(N)=O)cc12

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
BCHE P06276 9/20 0.41
ACHE P22303 5/20 0.41
PARP1 P09874 1/20 0.40
DHODH Q02127 1/20 0.40
ROCK2 O75116 1/20 0.39
RCE1 Q9Y256 1/20 0.38
CHEK1 O14757 1/20 0.38
GCGR P47871 1/20 0.38
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
HRH3 Q9Y5N1 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
HTR1A P08908 1/20 0.37

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
SCHEMBL6501964 0.81 RCE1 (0.40) ROCK2RCE1HRH3
SCHEMBL5961474 0.80 PIM3 (0.40) ROCK2RCE1CHEK1
SCHEMBL6502700 0.74 CCR2 (0.63)
SCHEMBL5961485 0.74 RCE1 (0.50) RCE1
Hydrochloric Acid SCHEMBL6502089 0.74 CCR2 (0.64)
SCHEMBL6503802 0.74 CCR2 (0.62)
Hydrochloric Acid SCHEMBL6503076 0.73 CCR2 (0.63)
SCHEMBL5961519 0.72 RCE1 (0.48) ROCK2RCE1
SCHEMBL6504815 0.70 CCR2 (0.62) HRH3
SCHEMBL14334591 0.69 DRD2 (0.50) BCHEACHEPARP1DHODHCHEK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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-20040198719-A1 Antagonist of MCP-1 function, and compositions and methods of use thereof CCR1, CCL11, CCL2 BCHE 1177/4885ACHE 704/4885PARP1 3351/4885

“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.