SCHEMBL7079541

SCHEMBL7079541

Cc1nn(C)c2ncc(C(=O)NC(=O)Nc3ccc(C(=O)O)cc3)cc12

nearest known ligand 0.68

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 1/20 0.68
CCR5 P51681 1/20 0.68
NR3C1 P04150 9/20 0.50
SPR P35270 4/20 0.48
POLB P06746 1/20 0.48
CA12 O43570 2/20 0.42
CA2 P00918 2/20 0.42
CA9 Q16790 2/20 0.42
CPT2 P23786 1/20 0.42
CPT1A P50416 1/20 0.42
CPT1B Q92523 1/20 0.42
PYGL P06737 1/20 0.41
RPS6KA2 Q15349 1/20 0.41

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
SCHEMBL5961458 0.85 CCR2 (0.68) CCR2CCR5NR3C1SPRPOLB
SCHEMBL5961483 0.83 CCR2 (0.66) CCR2CCR5NR3C1SPRPOLB
SCHEMBL7079323 0.83 CCR2 (0.66) CCR2CCR5NR3C1SPRPOLB
SCHEMBL5961584 0.82 CCR2 (0.59) CCR2CCR5NR3C1SPRPOLB
SCHEMBL20413616 0.82 SPR (0.59) CCR2CCR5NR3C1SPRPOLB
SCHEMBL18841095 0.81 CCR2 (1.00) CCR2CCR5NR3C1SPRPOLB
SCHEMBL5961499 0.80 CCR2 (0.59) CCR2CCR5NR3C1SPRPOLB
SCHEMBL17980518 0.80 NR3C1 (0.71) CCR2CCR5NR3C1SPRPOLB
SCHEMBL5961571 0.80 CCR2 (0.59) CCR2CCR5NR3C1SPRPOLB
SCHEMBL5070874 0.79 SPR (0.61) CCR2CCR5NR3C1SPRPOLB

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 4 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

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 CCR2 1/4885CCR5 4/4885NR3C1 673/4885

“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.