SCHEMBL5961539

SCHEMBL5961539

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

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.47
PKM P14618 1/20 0.47
CYP1A2 P05177 1/20 0.40
RCE1 Q9Y256 1/20 0.40
CCR2 P41597 2/20 0.40
CCR5 P51681 2/20 0.40
BRD4 O60885 1/20 0.38
ATAD2 Q6PL18 1/20 0.38
JAK2 O60674 2/20 0.38
JAK1 P23458 2/20 0.38
JAK3 P52333 2/20 0.38
KDM4E B2RXH2 1/20 0.38
GLA P06280 1/20 0.38
GAA P10253 1/20 0.38
HPGD P15428 1/20 0.38
CASP1 P29466 1/20 0.38
CASP7 P55210 1/20 0.38
HSD17B10 Q99714 1/20 0.38
HTR6 P50406 1/20 0.37
TLR8 Q9NR97 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
SCHEMBL7081780 0.79 ALDH1A1 (0.57) ALDH1A1PKMBRD4ATAD2KDM4E
SCHEMBL5961531 0.77 CCR2 (0.54) ALDH1A1RCE1CCR2CCR5KDM4E
SCHEMBL5961485 0.74 RCE1 (0.50) ALDH1A1RCE1KDM4EHPGDPIM3
SCHEMBL5961519 0.72 RCE1 (0.48) ALDH1A1RCE1KDM4EHPGDPIM3
SCHEMBL5961474 0.67 PIM3 (0.40) ALDH1A1RCE1CCR2CCR5KDM4E
SCHEMBL27504349 0.65 KDM4E (0.68) ALDH1A1BRD4ATAD2KDM4EHPGD
SCHEMBL6501964 0.65 RCE1 (0.40) ALDH1A1RCE1KDM4EHPGDPIM3
SCHEMBL11164022 0.65 CHRNA7 (0.42) ALDH1A1PKMCYP1A2BRD4ATAD2
SCHEMBL11799355 0.64 TERT (0.51) ALDH1A1CYP1A2BRD4KDM4EGAA
SCHEMBL26233655 0.64 BAZ2B (0.44) ALDH1A1RCE1CCR2CCR5KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6992086-B2 Antagonists of MCP-1 function and methods of use thereof TELIK, INC. (US) 2006-01-31 US 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 (2 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 ALDH1A1 2133/4885PKM 2756/4885CYP1A2 3576/4885
US-20030096705-A1 Antagonists of MCP-1 function and methods of use thereof CCR2, CCR1, CCL2 ALDH1A1 2133/4885PKM 2756/4885CYP1A2 3576/4885

“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.