SCHEMBL5961493

SCHEMBL5961493

Cc1nn(C)c2ncc(N(C=O)C(=O)Nc3cccc(C(=O)c4ccccc4)c3)c(N3CCN(C)CC3)c12

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NR3C1 P04150 6/20 0.44
PDE4A P27815 4/20 0.38
PDE4B Q07343 4/20 0.38
PDE4C Q08493 4/20 0.38
PDE4D Q08499 4/20 0.38
CASR P41180 1/20 0.35
KDM4E B2RXH2 1/20 0.34
ATAD2 Q6PL18 1/20 0.34
LMNA P02545 2/20 0.34
LCK P06239 1/20 0.34
KDR P35968 1/20 0.34
MAPK14 Q16539 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
THRB P10828 1/20 0.34
GAA P10253 1/20 0.33
KMT2A Q03164 1/20 0.33
BTK Q06187 1/20 0.33

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 SCHEMBL7174469 0.99 NR3C1 (0.43) NR3C1PDE4APDE4BPDE4CPDE4D
SCHEMBL5961569 0.91 KDM4E (0.43) NR3C1PDE4APDE4BPDE4CPDE4D
SCHEMBL5961497 0.89 NR3C1 (0.44) NR3C1PDE4APDE4BPDE4CPDE4D
SCHEMBL5961465 0.88 NR3C1 (0.39) NR3C1PDE4APDE4BPDE4CPDE4D
SCHEMBL5961573 0.88 RAB9A (0.43) NR3C1PDE4APDE4BPDE4CPDE4D
SCHEMBL5961439 0.87 NR3C1 (0.38) NR3C1PDE4APDE4BPDE4CPDE4D
SCHEMBL5961567 0.86 NR3C1 (0.42) NR3C1LMNALCKKDRMAPK14
SCHEMBL5961563 0.85 NR3C1 (0.46) NR3C1PDE4APDE4BPDE4CPDE4D
SCHEMBL7074508 0.84 NR3C1 (0.43) NR3C1PDE4APDE4BPDE4CPDE4D
SCHEMBL5961534 0.83 CASR (0.41) NR3C1PDE4APDE4BPDE4CPDE4D

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-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

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.