SCHEMBL5961440

SCHEMBL5961440

Cc1nn(C)c2ncc(N(C=O)C(=O)Nc3cccc(C(F)(F)F)c3)cc12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.47
ALDH1A1 P00352 1/20 0.46
CCR2 P41597 1/20 0.45
CCR5 P51681 1/20 0.45
KMT2A Q03164 3/20 0.44
MEN1 O00255 2/20 0.44
AKR1C3 P42330 1/20 0.44
TSHR P16473 1/20 0.44
NR3C1 P04150 2/20 0.43
RAB9A P51151 2/20 0.43
POLB P06746 1/20 0.43
ABL1 P00519 1/20 0.42
LCK P06239 1/20 0.42
FYN P06241 1/20 0.42
CSF1R P07333 1/20 0.42
LYN P07948 1/20 0.42
KIT P10721 1/20 0.42
SRC P12931 1/20 0.42
FLT1 P17948 1/20 0.42
FLT4 P35916 1/20 0.42

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
SCHEMBL5961535 0.92 CCR2 (0.42) TP53ALDH1A1CCR2CCR5NR3C1
SCHEMBL5961477 0.88 CCR2 (0.42) TP53ALDH1A1CCR2CCR5AKR1C3
SCHEMBL5961522 0.87 CCR2 (0.53) CCR2CCR5NR3C1POLBABL1
SCHEMBL7079006 0.86 MEN1 (0.45) TP53ALDH1A1CCR2CCR5KMT2A
SCHEMBL7078063 0.86 SPR (0.40) TP53ALDH1A1CCR2CCR5NR3C1
SCHEMBL5961472 0.85 CCR2 (0.63) CCR2CCR5NR3C1ABL1LCK
SCHEMBL5961525 0.85 CCR2 (0.54) CCR2CCR5NR3C1POLBABL1
SCHEMBL5961435 0.85 CCR2 (0.43) ALDH1A1CCR2CCR5NR3C1POLB
SCHEMBL5961427 0.85 CCR2 (0.51) CCR2CCR5NR3C1POLBABL1
SCHEMBL7078734 0.85 POLB (0.41) CCR2CCR5NR3C1POLBMAPT

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 TP53 3438/4885ALDH1A1 2133/4885CCR2 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.