SCHEMBL5961478

SCHEMBL5961478

Cc1nn(C)c2ncc(N(C=O)C(=O)Nc3ccc([N+](=O)[O-])c(C(F)(F)F)c3)cc12

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 1/20 0.48
CCR5 P51681 1/20 0.48
AR P10275 8/20 0.44
CYP3A4 P08684 2/20 0.44
CES2 O00748 1/20 0.44
ABCB11 O95342 1/20 0.44
ALDH1A1 P00352 1/20 0.44
LMNA P02545 1/20 0.44
CYP1A2 P05177 1/20 0.44
GLA P06280 1/20 0.44
ADORA3 P0DMS8 1/20 0.44
CHRM1 P11229 1/20 0.44
CYP2C9 P11712 1/20 0.44
ALOX15 P16050 1/20 0.44
TSHR P16473 1/20 0.44
TBXA2R P21731 1/20 0.44
AADAC P22760 1/20 0.44
MAPK1 P28482 1/20 0.44
CYP2C19 P33261 1/20 0.44
ADRA1A P35348 1/20 0.44

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
SCHEMBL5961522 0.89 CCR2 (0.53) CCR2CCR5AR
SCHEMBL5961472 0.87 CCR2 (0.63) CCR2CCR5AR
SCHEMBL5961427 0.87 CCR2 (0.51) CCR2CCR5AR
SCHEMBL5961577 0.86 CCR2 (0.51) CCR2CCR5SMN1; SMN2
SCHEMBL5961525 0.85 CCR2 (0.54) CCR2CCR5AR
SCHEMBL5961440 0.82 TP53 (0.47) CCR2CCR5ALDH1A1LMNATSHR
SCHEMBL5961535 0.81 CCR2 (0.42) CCR2CCR5ALDH1A1
SCHEMBL7077952 0.81 SPR (0.48) CCR2CCR5KMT2A
SCHEMBL5961435 0.79 CCR2 (0.43) CCR2CCR5ALDH1A1
SCHEMBL7074009 0.79 NR3C1 (0.48) CCR2CCR5KMT2A

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
US-20030096705-A1 Antagonists of MCP-1 function and methods of use thereof SANWA KAGAKU KENKYUSHO CO., LTD. (JP) 2003-05-22 US 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 CCR2 1/4885CCR5 4/4885AR 1886/4885

“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.