SCHEMBL5118613

SCHEMBL5118613

CN(C)CCNc1nccc(Oc2cccc3cc(C(=O)O)n(C)c23)n1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MKNK1 Q9BUB5 3/20 0.39
MKNK2 Q9HBH9 1/20 0.39
PTK2 Q05397 1/20 0.37
ALDH1A1 P00352 1/20 0.37
CYP1A2 P05177 1/20 0.37
POLB P06746 1/20 0.37
ALOX5AP P20292 1/20 0.37
FEN1 P39748 1/20 0.37
CCR4 P51679 1/20 0.36
DNM2 P50570 2/20 0.36
GSK3A P49840 6/20 0.36
SRC P12931 4/20 0.36
MAPK14 Q16539 4/20 0.36
KDR P35968 2/20 0.35
MET P08581 1/20 0.35
SYK P43405 4/20 0.35
FGFR1 P11362 1/20 0.35
FLT1 P17948 1/20 0.35
FLT4 P35916 1/20 0.35
FLT3 P36888 1/20 0.35

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
SCHEMBL5118707 0.95 CCR4 (0.41) MKNK1PTK2ALDH1A1CYP1A2POLB
SCHEMBL5124612 0.86 FGFR1 (0.38) PTK2GSK3ASRCMAPK14KDR
SCHEMBL5119164 0.86 GSK3A (0.41) MKNK1PTK2ALDH1A1CYP1A2GSK3A
SCHEMBL5110884 0.85 GSK3A (0.39) MKNK1PTK2GSK3AKDRMET
SCHEMBL5110230 0.84 KDR (0.41) PTK2ALDH1A1MAPK14KDRMET
SCHEMBL5114171 0.84 TBXAS1 (0.39) PTK2ALDH1A1SRCKDRMET
SCHEMBL5114287 0.84 GSK3A (0.36) PTK2GSK3AKDRMET
SCHEMBL5110255 0.84 ALDH1A1 (0.39) PTK2ALDH1A1CYP1A2POLBSRC
SCHEMBL5111007 0.84 HTR7 (0.43) PTK2ALDH1A1CYP1A2POLB
SCHEMBL5118572 0.83 SYK (0.42) PTK2ALDH1A1CYP1A2GSK3ASRC

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-7335657-B2 Cytokine inhibitors BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2008-02-26 US claimed
EP-1631567-A2 HETEROCYCLIC N-ARYL CARBOXAMIDES AS CYTOKINE INHIBITORS BOEHRINGER INGELHEIM PHARMACEUTICALS INC. (US) 2006-03-08 EP claimed
WO-2005016918-A2 HETEROCYCLIC N-ARYL CARBOXAMIDES AS CYTOKINE INHIBITORS BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2005-02-24 WO claimed
US-7335657-B2 Cytokine inhibitors BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2008-02-26 US disclosed
US-20060235017-A1 Cytokine Inhibitors BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2006-10-19 US disclosed
US-7078419-B2 N-aryl-7-(pyridin-4yl-methyl-, oxy-, thio-or amino-)indole-2-carbonamide derivatives, e.g., 7-(2,6-Dimethyl-pyridin-4-yloxy)-1H-indole-2-carboxylic acid (5-tert-butyl-3-methanesulfonylamino-2-methoxy-phenyl)-amide; treating chronic inflammatory diseases and anticoagulant or fibrinolytic therapy BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2006-07-18 US disclosed
EP-1631567-A2 HETEROCYCLIC N-ARYL CARBOXAMIDES AS CYTOKINE INHIBITORS BOEHRINGER INGELHEIM PHARMACEUTICALS INC. (US) 2006-03-08 EP disclosed
WO-2005016918-A2 HETEROCYCLIC N-ARYL CARBOXAMIDES AS CYTOKINE INHIBITORS BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2005-02-24 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-20060235017-A1 Cytokine Inhibitors IL1B, IL1A, IL1R1 MKNK1 2942/4885MKNK2 2561/4885PTK2 402/4885

“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.