SCHEMBL5961540

SCHEMBL5961540

Cc1nn(C)c2ncc(N(C=O)C(=O)Nc3ccc(C(=O)N4CCOCC4)c(Cl)c3)cc12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LCK P06239 2/20 0.42
PTK6 Q13882 2/20 0.42
AURKB Q96GD4 2/20 0.42
MOK Q9UQ07 4/20 0.40
NR3C1 P04150 2/20 0.39
CCNE1 P24864 1/20 0.38
CDK2 P24941 1/20 0.38
MTOR P42345 1/20 0.38
GSK3A P49840 1/20 0.38
KMT2A Q03164 1/20 0.38
EPHX2 P34913 1/20 0.38
CNR1 P21554 3/20 0.37
CNR2 P34972 3/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
RORC P51449 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
RAB9A P51151 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
SCHEMBL5961510 0.92 PTK6 (0.42) LCKPTK6NR3C1MTOR
SCHEMBL7137484 0.82 SPR (0.43) NR3C1SMN1; SMN2RAB9A
SCHEMBL5961460 0.82 NR3C1 (0.40) LCKPTK6AURKBNR3C1CCNE1
SCHEMBL7074009 0.80 NR3C1 (0.48) NR3C1KMT2ARAB9A
SCHEMBL7079006 0.79 MEN1 (0.45) NR3C1KMT2ACYP3A4CYP2C9CYP2C19
SCHEMBL5961577 0.78 CCR2 (0.51) NR3C1SMN1; SMN2
SCHEMBL7079264 0.77 NR3C1 (0.40) NR3C1
SCHEMBL7077952 0.77 SPR (0.48) NR3C1KMT2ARAB9A
SCHEMBL7137004 0.76 KMT2A (0.41) MOKNR3C1MTORKMT2ACNR1
SCHEMBL5961443 0.75 PTK6 (0.40) PTK6NR3C1MTORRAB9A

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 8 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
EP-1358188-A2 ANTAGONISTS OF MCP-1 FUNCTION AND METHODS OF USE THEREOF TELIK, INC. (US) 2003-11-05 EP disclosed
WO-2002060900-A2 ANTAGONISTS OF MCP-1 FUNCTION AND METHODS OF USE THEREOF TELIK, INC. (US) 2002-08-08 WO 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 LCK 460/4885PTK6 2002/4885AURKB 4030/4885

“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.