SCHEMBL6501964

SCHEMBL6501964

Cc1nn(C)c2nc(CCN3CCCC3)c(C(N)=O)cc12

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RCE1 Q9Y256 1/20 0.40
PIM3 Q86V86 1/20 0.37
PIM2 Q9P1W9 1/20 0.37
KDM4E B2RXH2 3/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
ALDH1A1 P00352 2/20 0.35
TDP1 Q9NUW8 1/20 0.35
PDE4A P27815 4/20 0.35
PDE4B Q07343 4/20 0.35
PDE4C Q08493 4/20 0.35
PDE4D Q08499 4/20 0.35
HRH3 Q9Y5N1 3/20 0.34
SPR P35270 2/20 0.34
POLB P06746 1/20 0.34
HTR3A P46098 1/20 0.34
ROCK2 O75116 1/20 0.33
HPGD P15428 1/20 0.33
BTK Q06187 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
SCHEMBL6495263 0.81 BCHE (0.41) RCE1HRH3ROCK2
SCHEMBL6503506 0.77 PDE10A (0.38) KDM4EL3MBTL1ALDH1A1HRH3HTR3A
SCHEMBL5961485 0.77 RCE1 (0.50) RCE1PIM3PIM2KDM4EALDH1A1
SCHEMBL5961519 0.74 RCE1 (0.48) RCE1PIM3PIM2KDM4EALDH1A1
SCHEMBL6505132 0.72 CCR2 (0.65) KDM4E
Hydrochloric Acid SCHEMBL6498319 0.72 CCR2 (0.65) KDM4E
SCHEMBL6494422 0.72 CCR2 (0.51) KDM4EPOLB
Hydrochloric Acid SCHEMBL6496230 0.71 CCR2 (0.65) KDM4E
SCHEMBL5961531 0.68 CCR2 (0.54) RCE1PIM3PIM2KDM4EALDH1A1
SCHEMBL26234077 0.66 SPR (0.40) RCE1PIM3PIM2KDM4EALDH1A1

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 RCE1 3488/4885PIM3 2259/4885PIM2 1800/4885

“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.