SCHEMBL5961491

SCHEMBL5961491

Cc1nn(C)c2nc(O)c(C#N)cc12

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 1/20 0.38
ADORA2B P29275 1/20 0.38
SPR P35270 4/20 0.36
POLB P06746 1/20 0.36
KDM4E B2RXH2 6/20 0.36
ALDH1A1 P00352 5/20 0.36
TSHR P16473 3/20 0.36
HSD17B10 Q99714 3/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
GAA P10253 1/20 0.36
HPGD P15428 1/20 0.36
KMT2A Q03164 3/20 0.33
MEN1 O00255 2/20 0.33
F11 P03951 1/20 0.32
ALOX15 P16050 2/20 0.32
CASP1 P29466 2/20 0.32
CASP7 P55210 2/20 0.32
USP2 O75604 1/20 0.32
MAPT P10636 1/20 0.32
NPSR1 Q6W5P4 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
SCHEMBL6493251 0.81 ALDH1A1 (0.50) ADORA2AADORA2BKDM4EALDH1A1TSHR
SCHEMBL6500772 0.77 ADORA2A (0.35) ADORA2AADORA2BSPRKDM4EALDH1A1
SCHEMBL23357465 0.73 MAPT (0.36) POLBKDM4EALDH1A1HSD17B10GAA
SCHEMBL30711998 0.73 MAPT (0.36) POLBKDM4EALDH1A1HSD17B10GAA
SCHEMBL5961519 0.72 RCE1 (0.48) ADORA2AADORA2BSPRPOLBKDM4E
SCHEMBL7081776 0.72 CCR2 (0.44) ADORA2AADORA2BPOLBKDM4EALDH1A1
SCHEMBL6503506 0.71 PDE10A (0.38) KDM4EALDH1A1TSHRHSD17B10L3MBTL1
SCHEMBL19230707 0.70 ADORA2A (0.44) ADORA2AADORA2BSPRPOLBKDM4E
SCHEMBL2176229 0.70 KDM4E (0.40) KDM4EALDH1A1TSHRHSD17B10L3MBTL1
SCHEMBL29904870 0.70 KDM4E (0.40) KDM4EALDH1A1TSHRHSD17B10L3MBTL1

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-6992086-B2 Antagonists of MCP-1 function and methods of use thereof TELIK, INC. (US) 2006-01-31 US disclosed
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
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 (3 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 ADORA2A 842/4885ADORA2B 1291/4885SPR 430/4885
US-20030096705-A1 Antagonists of MCP-1 function and methods of use thereof CCR2, CCR1, CCL2 ADORA2A 842/4885ADORA2B 1291/4885SPR 430/4885
US-20040198719-A1 Antagonist of MCP-1 function, and compositions and methods of use thereof CCR1, CCL11, CCL2 ADORA2A 631/4885ADORA2B 394/4885SPR 898/4885

“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.