SCHEMBL5961567

SCHEMBL5961567

Cc1nn(C)c2ncc(N(C=O)C(=O)Nc3cccc(C(F)(F)F)c3)c(N3CCN(C)CC3)c12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR3C1 P04150 2/20 0.42
LCK P06239 4/20 0.42
KDR P35968 4/20 0.42
MAPK14 Q16539 3/20 0.42
TEK Q02763 2/20 0.41
JAK3 P52333 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
NPC1 O15118 1/20 0.41
ABL1 P00519 2/20 0.41
FYN P06241 2/20 0.41
CSF1R P07333 2/20 0.41
LYN P07948 2/20 0.41
SRC P12931 2/20 0.41
KIT P10721 1/20 0.41
FLT1 P17948 1/20 0.41
FLT4 P35916 1/20 0.41
FLT3 P36888 1/20 0.41
BLK P51451 1/20 0.41
BRAF P15056 2/20 0.40
LMNA P02545 2/20 0.40

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
SCHEMBL5961504 0.92 NR3C1 (0.41) NR3C1SMN1; SMN2ABL1CSF1RLYN
SCHEMBL5961565 0.89 NR3C1 (0.39) NR3C1LCKKDRMAPK14TEK
SCHEMBL7074508 0.89 NR3C1 (0.43) NR3C1KDRABL1CSF1RFLT1
Hydrochloric Acid SCHEMBL5961521 0.88 NR3C1 (0.39) NR3C1LCKKDRMAPK14TEK
SCHEMBL5961465 0.88 NR3C1 (0.39) NR3C1SMN1; SMN2
SCHEMBL5961573 0.88 RAB9A (0.43) NR3C1NPC1LMNAALDH1A1TP53
SCHEMBL7079287 0.88 CCR2 (0.39) NR3C1LCKKDRMAPK14ABL1
SCHEMBL5961569 0.87 KDM4E (0.43) NR3C1MAPK14NPC1FLT3
SCHEMBL5961559 0.87 NR3C1 (0.41) NR3C1LCKKDRMAPK14ABL1
Hydrochloric Acid SCHEMBL5961488 0.87 CCR2 (0.39) NR3C1LCKKDRMAPK14ABL1

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 NR3C1 673/4885LCK 460/4885KDR 1267/4885

“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.