SCHEMBL5961537

SCHEMBL5961537

Cc1nn(C)c2ncc(N(C=O)C(=O)Nc3ccc(Cl)cc3C(F)(F)F)cc12

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 1/20 0.45
CCR5 P51681 1/20 0.45
NR3C1 P04150 5/20 0.44
RAB9A P51151 3/20 0.39
TP53 P04637 2/20 0.39
MAPT P10636 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C19 P33261 1/20 0.39
TRPV1 Q8NER1 1/20 0.39
SPR P35270 2/20 0.37
HTR2A P28223 1/20 0.37
HTR2C P28335 1/20 0.37
KDM4E B2RXH2 1/20 0.37
NPC1 O15118 1/20 0.36
ALDH1A1 P00352 1/20 0.36
HTT P42858 1/20 0.36
PAX8 Q06710 1/20 0.36
LMNA P02545 2/20 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
SCHEMBL7073878 0.86 NR3C1 (0.39) CCR2CCR5NR3C1MAPTSPR
SCHEMBL5961435 0.85 CCR2 (0.43) CCR2CCR5NR3C1MAPTTRPV1
SCHEMBL5961577 0.84 CCR2 (0.51) CCR2CCR5NR3C1SMN1; SMN2TRPV1
SCHEMBL5961517 0.84 MCL1 (0.43) CCR2CCR5NR3C1TP53MAPT
SCHEMBL7074009 0.83 NR3C1 (0.48) CCR2CCR5NR3C1RAB9ASPR
SCHEMBL5961472 0.83 CCR2 (0.63) CCR2CCR5NR3C1SPRTHRB
SCHEMBL5961522 0.83 CCR2 (0.53) CCR2CCR5NR3C1TRPV1SPR
SCHEMBL7079006 0.82 MEN1 (0.45) CCR2CCR5NR3C1RAB9ATP53
SCHEMBL5961427 0.81 CCR2 (0.51) CCR2CCR5NR3C1TRPV1SPR
SCHEMBL5961525 0.81 CCR2 (0.54) CCR2CCR5NR3C1SPRPOLB

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 4/4885NR3C1 673/4885

“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.