SCHEMBL5441981

SCHEMBL5441981

Fc1ccc(-c2n[nH]cc2-c2ccnc(NCCN3CCOCC3)c2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.52
RAB9A P51151 1/20 0.52
EGFR P00533 1/20 0.46
MAPK14 Q16539 7/20 0.45
MAPK13 O15264 6/20 0.45
MAPK12 P53778 6/20 0.45
MAPK11 Q15759 6/20 0.45
CHRM1 P11229 1/20 0.45
SIGMAR1 Q99720 1/20 0.45
CYP1A2 P05177 7/20 0.44
CYP2D6 P10635 5/20 0.44
CYP3A4 P08684 5/20 0.44
CYP2C19 P33261 5/20 0.44
ALDH1A1 P00352 5/20 0.44
HSD17B10 Q99714 4/20 0.44
ALOX15 P16050 3/20 0.44
HIF1A Q16665 2/20 0.44
CYP2C9 P11712 1/20 0.44
TSHR P16473 3/20 0.44
CLK4 Q9HAZ1 2/20 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
SCHEMBL5447721 0.90 MAP4K4 (0.48) MAPK14MAPK13MAPK12MAPK11SIGMAR1
SCHEMBL7847670 0.83 DRD2 (0.46) MAPK14MAPK13MAPK12MAPK11ALDH1A1
SCHEMBL5463476 0.83 SIGMAR1 (0.40) MAPK14MAPK13MAPK12MAPK11SIGMAR1
SCHEMBL14521999 0.81 MAPK14 (0.54) EGFRMAPK14MAPK13MAPK12MAPK11
SCHEMBL5448073 0.80 QPCT (0.46) MAPK14MAPK13MAPK12MAPK11ALOX15
Morpholine SCHEMBL27519530 0.80 MAPK14 (0.45) MAPK14MAPK13MAPK12MAPK11
SCHEMBL5452518 0.79 MAPK14 (0.56) MAPK14MAPK13MAPK12MAPK11
SCHEMBL14519560 0.79 HRH3 (0.40) MAPK14MAPK13MAPK12MAPK11CYP3A4
SCHEMBL5454886 0.79 TDO2 (0.47) MAPK14MAPK13MAPK12MAPK11CYP2C19
SCHEMBL5353409 0.79 MAPK14 (0.58) MAPK14MAPK13MAPK12MAPK11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040176433-A1 treatment of tumor necrosis factor mediated disorders; asthma; inflammatory bowel disease; arthritis PHARMACIA CORPORATION 2004-09-09 US claimed
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
EP-1000055-A1 SUBSTITUTED PYRAZOLES AS p38 KINASE INHIBITORS G.D. Searle & Co. (US) 2000-05-17 EP disclosed
WO-1998052940-A1 SUBSTITUTED PYRAZOLES AS p38 KINASE INHIBITORS G.D. SEARLE AND CO. (US) 1998-11-26 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 NPC1 4594/4885RAB9A 1289/4885EGFR 2201/4885
US-20070078146-A1 Antiinflamamtory agents; antiarthritic agents; inflammatory bowel disorders; multiple sclerosis; asthma MAPK1, MAPK3, MAPK4 NPC1 4880/4885RAB9A 2090/4885EGFR 4628/4885

“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.