SCHEMBL5452345

SCHEMBL5452345

Brc1ccc(-c2[nH]nc(N3CCNCC3)c2-c2ccncc2)cc1

nearest known ligand 0.58

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 12/20 0.58
MAPK13 O15264 11/20 0.58
MAPK12 P53778 11/20 0.58
MAPK11 Q15759 11/20 0.58
PIM1 P11309 1/20 0.46
PIM3 Q86V86 1/20 0.46
PRKCI P41743 2/20 0.46
ADRB2 P07550 1/20 0.42
NCF1 P14598 1/20 0.42
PLD1 Q13393 1/20 0.42
ROCK2 O75116 2/20 0.41
ROCK1 Q13464 2/20 0.41
PRKCB P05771 1/20 0.41
PRKCA P17252 1/20 0.41
PRKCH P24723 1/20 0.41
PRKCE Q02156 1/20 0.41
PRKCQ Q04759 1/20 0.41
PRKCD Q05655 1/20 0.41
PRKD1 Q15139 1/20 0.41

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
SCHEMBL14410980 0.87 MAPK14 (0.58) MAPK14MAPK13MAPK12MAPK11PIM1
SCHEMBL5255649 0.87 MAPK11 (0.76) MAPK14MAPK13MAPK12MAPK11PIM1
SCHEMBL27555290 0.87 MAPK11 (0.57) MAPK14MAPK13MAPK12MAPK11PIM1
Hydrochloric Acid SCHEMBL5254750 0.86 MAPK14 (0.57) MAPK14MAPK13MAPK12MAPK11PIM1
Hydrochloric Acid SCHEMBL5259493 0.86 MAPK11 (0.74) MAPK14MAPK13MAPK12MAPK11PIM1
SCHEMBL5449857 0.85 MAPK14 (0.56) MAPK14MAPK13MAPK12MAPK11PIM1
SCHEMBL5829626 0.84 MAPK14 (0.55) MAPK14MAPK13MAPK12MAPK11PIM1
SCHEMBL14519667 0.81 MAPK11 (0.45) MAPK14MAPK13MAPK12MAPK11PIM1
SCHEMBL5450064 0.75 MAPK14 (0.59) MAPK14MAPK13MAPK12MAPK11
SCHEMBL5444344 0.74 MAPK14 (0.80) MAPK14MAPK13MAPK12MAPK11ROCK2

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 7 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-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
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
CN-1264377-A Substituted pyrazoles as P38 kinase inhabitors SEARLE & CO (US) 2000-08-23 CN 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 MAPK14 12/4885MAPK13 22/4885MAPK12 104/4885
US-20070078146-A1 Antiinflamamtory agents; antiarthritic agents; inflammatory bowel disorders; multiple sclerosis; asthma MAPK1, MAPK3, MAPK4 MAPK14 7/4885MAPK13 4/4885MAPK12 41/4885

“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.