SCHEMBL5961565

SCHEMBL5961565

Cc1nn(C)c2ncc(N(C=O)C(=O)Nc3cc(O)cc(C(F)(F)F)c3)c(N3CCN(C)CC3)c12

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR3C1 P04150 7/20 0.39
PDE4A P27815 1/20 0.34
PDE4B Q07343 1/20 0.34
PDE4C Q08493 1/20 0.34
PDE4D Q08499 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
TACR1 P25103 3/20 0.33
ABL1 P00519 2/20 0.33
S1PR5 Q9H228 1/20 0.33
IKBKE Q14164 1/20 0.33
NR2E1 Q9Y466 1/20 0.33
HCK P08631 1/20 0.32
NR2C2 P49116 1/20 0.32
BTK Q06187 1/20 0.32
LCK P06239 1/20 0.32
KDR P35968 1/20 0.32
TEK Q02763 1/20 0.32
MAPK14 Q16539 1/20 0.32
CSF1R P07333 1/20 0.32
LYN P07948 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
Hydrochloric Acid SCHEMBL5961521 0.99 NR3C1 (0.39) NR3C1PDE4APDE4BPDE4CPDE4D
SCHEMBL5961504 0.95 NR3C1 (0.41) NR3C1SMN1; SMN2TACR1ABL1S1PR5
SCHEMBL5961567 0.89 NR3C1 (0.42) NR3C1SMN1; SMN2ABL1LCKKDR
SCHEMBL5961452 0.85 CCR2 (0.39) NR3C1ABL1LCKKDRMAPK14
Hydrochloric Acid SCHEMBL5961450 0.85 CCR2 (0.38) NR3C1ABL1LCKKDRMAPK14
SCHEMBL7079287 0.84 CCR2 (0.39) NR3C1ABL1LCKKDRMAPK14
SCHEMBL5961588 0.84 CCR2 (0.47) NR3C1ABL1LCKKDRCSF1R
SCHEMBL5961559 0.84 NR3C1 (0.41) NR3C1ABL1LCKKDRMAPK14
Hydrochloric Acid SCHEMBL5961488 0.84 CCR2 (0.39) NR3C1ABL1LCKKDRMAPK14
Hydrochloric Acid SCHEMBL5961434 0.83 CCR2 (0.47) NR3C1ABL1LCKKDRCSF1R

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 claimed
EP-1358188-A2 ANTAGONISTS OF MCP-1 FUNCTION AND METHODS OF USE THEREOF TELIK, INC. (US) 2003-11-05 EP claimed
US-20030096705-A1 Antagonists of MCP-1 function and methods of use thereof SANWA KAGAKU KENKYUSHO CO., LTD. (JP) 2003-05-22 US claimed
WO-2002060900-A2 ANTAGONISTS OF MCP-1 FUNCTION AND METHODS OF USE THEREOF TELIK, INC. (US) 2002-08-08 WO claimed
US-6992086-B2 Antagonists of MCP-1 function and methods of use thereof TELIK, INC. (US) 2006-01-31 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
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 (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-20030096705-A1 Antagonists of MCP-1 function and methods of use thereof CCR2, CCR1, CCL2 NR3C1 673/4885PDE4A 1423/4885PDE4B 1277/4885

“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.