SCHEMBL5961526

SCHEMBL5961526

Cc1nn(C)c2ncc(N(C=O)C(=O)Nc3ccc(F)c(C(F)(F)F)c3)c(N3CCN(Cc4ccccc4)CC3)c12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
UBE2M P61081 6/20 0.43
DCUN1D1 Q96GG9 6/20 0.43
CCR2 P41597 1/20 0.43
CCR5 P51681 1/20 0.43
ABL1 P00519 1/20 0.39
LCK P06239 1/20 0.39
CSF1R P07333 1/20 0.39
LYN P07948 1/20 0.39
KIT P10721 1/20 0.39
SRC P12931 1/20 0.39
FLT1 P17948 1/20 0.39
FLT4 P35916 1/20 0.39
KDR P35968 1/20 0.39
FLT3 P36888 1/20 0.39
BLK P51451 1/20 0.39
NR3C1 P04150 6/20 0.39
POLB P06746 1/20 0.36
LMNA P02545 1/20 0.36
TP53 P04637 1/20 0.36
MCHR1 Q99705 1/20 0.36

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 SCHEMBL5961471 0.99 UBE2M (0.42) UBE2MDCUN1D1CCR2CCR5ABL1
SCHEMBL5961568 0.91 CCR2 (0.45) UBE2MDCUN1D1CCR2CCR5ABL1
SCHEMBL5961489 0.91 CCR2 (0.45) UBE2MDCUN1D1CCR2CCR5ABL1
Hydrochloric Acid SCHEMBL5961438 0.90 CCR2 (0.45) UBE2MDCUN1D1CCR2CCR5ABL1
SCHEMBL5961588 0.89 CCR2 (0.47) UBE2MDCUN1D1CCR2CCR5ABL1
Hydrochloric Acid SCHEMBL5961434 0.89 CCR2 (0.47) UBE2MDCUN1D1CCR2CCR5ABL1
SCHEMBL5961576 0.87 CCR2 (0.46) UBE2MDCUN1D1CCR2CCR5ABL1
SCHEMBL5961518 0.86 CCR2 (0.46) UBE2MDCUN1D1CCR2CCR5ABL1
SCHEMBL5961579 0.84 CCR2 (0.45) UBE2MDCUN1D1CCR2CCR5ABL1
SCHEMBL5961559 0.84 NR3C1 (0.41) CCR2CCR5ABL1LCKCSF1R

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-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
US-20030096705-A1 Antagonists of MCP-1 function and methods of use thereof SANWA KAGAKU KENKYUSHO CO., LTD. (JP) 2003-05-22 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 UBE2M 4709/4885DCUN1D1 1608/4885CCR2 1/4885

“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.