SCHEMBL5961474

SCHEMBL5961474

CCN(CC)CCOc1nc2c(cc1C(N)=O)c(C)nn2C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIM3 Q86V86 3/20 0.40
PIM1 P11309 2/20 0.40
CHEK1 O14757 1/20 0.40
MAP4K4 O95819 1/20 0.40
LCK P06239 1/20 0.40
CSF1R P07333 1/20 0.40
PHKG2 P15735 1/20 0.40
MARK3 P27448 1/20 0.40
KDR P35968 1/20 0.40
FLT3 P36888 1/20 0.40
CLK2 P49760 1/20 0.40
GSK3A P49840 1/20 0.40
ITK Q08881 1/20 0.40
MAP4K2 Q12851 1/20 0.40
DYRK1A Q13627 1/20 0.40
MARK2 Q7KZI7 1/20 0.40
MINK1 Q8N4C8 1/20 0.40
AURKB Q96GD4 1/20 0.40
PRKD2 Q9BZL6 1/20 0.40
SLK Q9H2G2 1/20 0.40

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 0.80 BCHE (0.41) CHEK1ROCK2RCE1
SCHEMBL5961485 0.74 RCE1 (0.50) PIM3RCE1SPRPOLBPIM2
SCHEMBL5961519 0.72 RCE1 (0.48) PIM3ROCK2RCE1SPRPOLB
SCHEMBL5961531 0.70 CCR2 (0.54) PIM3ROCK2RCE1SPRPOLB
SCHEMBL5961539 0.67 ALDH1A1 (0.47) PIM3RCE1GAAPIM2KDM4E
SCHEMBL6501964 0.65 RCE1 (0.40) PIM3ROCK2RCE1SPRPOLB
SCHEMBL26234077 0.64 SPR (0.40) PIM3RCE1SPRPOLBGAA
SCHEMBL30969307 0.64 MAOB (0.61) PIM3PIM1CHEK1MAP4K4LCK
SCHEMBL10745343 0.64 TNF (0.40) SPRPOLBKDM4ELMNAALDH1A1
SCHEMBL5961520 0.63 SPR (0.60) PIM3SPRPOLBPIM2KDM4E

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 PIM3 266/4885PIM1 83/4885CHEK1 4287/4885
US-20030096705-A1 Antagonists of MCP-1 function and methods of use thereof CCR2, CCR1, CCL2 PIM3 266/4885PIM1 83/4885CHEK1 4287/4885

“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.