SCHEMBL5450013

SCHEMBL5450013

CCOC(=O)N1CCC(Nc2n[nH]c(-c3ccc(F)cc3)c2-c2ccncc2)CC1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.52
KDM4E B2RXH2 2/20 0.52
ALDH1A1 P00352 1/20 0.52
GAA P10253 1/20 0.52
HSD17B10 Q99714 2/20 0.50
MAPK14 Q16539 2/20 0.48
NOS2 P35228 5/20 0.47
NOS1 P29475 4/20 0.46
KCNH2 Q12809 1/20 0.46
MAPK11 Q15759 1/20 0.46
NOS3 P29474 2/20 0.46
LMNA P02545 2/20 0.45
HTT P42858 2/20 0.45
TP53 P04637 1/20 0.45
HPGD P15428 1/20 0.45
TRPC3 Q13507 1/20 0.45
TRPC7 Q9HCX4 1/20 0.45
NPSR1 Q6W5P4 1/20 0.44
HRH2 P25021 1/20 0.44
HRH1 P35367 1/20 0.44

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
Water SCHEMBL27555304 0.99 KDM4E (0.51) MAPTKDM4EALDH1A1GAAHSD17B10
SCHEMBL5447709 0.91 NOS2 (0.53) MAPTKDM4EALDH1A1HSD17B10MAPK14
Water SCHEMBL27580378 0.86 MAPK14 (0.52) MAPK14KCNH2MAPK11CYP2C19
SCHEMBL14519539 0.82 MAPK14 (0.55) MAPK14MAPK11CYP3A4
Propionic Acid SCHEMBL27555306 0.80 MAPK14 (0.52) MAPK14KCNH2MAPK11CYP1A2
SCHEMBL5456393 0.79 MAPK14 (0.51) MAPK14MAPK11CYP3A4
SCHEMBL5454719 0.78 MAPK11 (0.59) MAPK14KCNH2MAPK11
SCHEMBL5451142 0.78 MAPK11 (0.62) MAPK14MAPK11
SCHEMBL27557868 0.77 MAPK14 (0.52) MAPK14MAPK11
SCHEMBL5446608 0.77 MAPK14 (0.53) MAPK14MAPK11

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 15 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070078146-A1 Antiinflamamtory agents; antiarthritic agents; inflammatory bowel disorders; multiple sclerosis; asthma PHARMACIA CORPORATION 2007-04-05 US disclosed
US-20070078146-A1 Antiinflamamtory agents; antiarthritic agents; inflammatory bowel disorders; multiple sclerosis; asthma PHARMACIA CORPORATION 2007-04-05 US disclosed
US-20070078146-A1 Antiinflamamtory agents; antiarthritic agents; inflammatory bowel disorders; multiple sclerosis; asthma PHARMACIA CORPORATION 2007-04-05 US disclosed
US-7153959-B2 treatment of tumor necrosis factor mediated disorders; asthma; inflammatory bowel disease; arthritis PHARMACIA CORPORATION (US) 2006-12-26 US disclosed
US-7071198-B1 Antiinflamamtory agents; antiarthritic agents; inflammatory bowel disorders; multiple sclerosis; asthma PHARMACIA CORPORATION (US) 2006-07-04 US disclosed
US-6979686-B1 Substituted pyrazoles as p38 kinase inhibitors PHARMACIA CORPORATION (US) 2005-12-27 US disclosed
EP-1500657-A1 Substituted pyrazoles as P38 kinase inhibitors G.D. Searle LLC (US) 2005-01-26 EP disclosed
EP-1144403-B1 SUBSTITUTED PYRAZOLES AS P38 KINASE INHIBITORS SEARLE LLC (US) 2004-10-06 EP disclosed
US-20040176433-A1 treatment of tumor necrosis factor mediated disorders; asthma; inflammatory bowel disease; arthritis PHARMACIA CORPORATION 2004-09-09 US disclosed
US-6617324-B1 Phenyl, cyclohexyl and pyridinyl or pyrimidinyl-substituted G. D. SEARLE & COMPANY 2003-09-09 US disclosed
US-6525059-B1 Mitogen-activated protein kinases (MAP); G. D. SEARLE & COMPANY 2003-02-25 US disclosed
US-6514977-B1 For treating p38 kinase mediated disorders G.D. SEARLE & COMPANY 2003-02-04 US disclosed
US-6423713-B1 Substituted pyrazoles as p38 kinase inhibitors G. D. SEARLE & COMPANY 2002-07-23 US disclosed
EP-1144403-A1 SUBSTITUED PYRAZOLES AS P38 KINASE INHIBITORS G.D. SEARLE & CO. (US) 2001-10-17 EP disclosed
WO-2000031063-A1 SUBSTITUTED PYRAZOLES AS p38 KINASE INHIBITORS G.D. SEARLE & CO. (US) 2000-06-02 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 (2 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-20040176433-A1 treatment of tumor necrosis factor mediated disorders; asthma; inflammatory bowel disease; arthritis MAPK1, IL1R1, TNF MAPT 4570/4885KDM4E 4399/4885ALDH1A1 950/4885
US-20070078146-A1 Antiinflamamtory agents; antiarthritic agents; inflammatory bowel disorders; multiple sclerosis; asthma MAPK1, MAPK3, MAPK4 MAPT 3082/4885KDM4E 2562/4885ALDH1A1 1079/4885

“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.