SCHEMBL6647487

SCHEMBL6647487

Fc1ccc(-c2[nH]nc(CC3CCNCC3)c2-c2ccncc2)cc1

nearest known ligand 0.59

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 14/20 0.59
MAPK11 Q15759 7/20 0.59
MAPK13 O15264 2/20 0.47
MAPK12 P53778 2/20 0.47
RAF1 P04049 1/20 0.47
MAPK9 P45984 1/20 0.47
RIPK3 Q9Y572 1/20 0.47
KCNH2 Q12809 1/20 0.43

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
SCHEMBL14519383 0.88 MAPK14 (0.44) MAPK14MAPK11MAPK13MAPK12
SCHEMBL14411247 0.85 MAPK14 (0.61) MAPK14MAPK11MAPK13MAPK12KCNH2
SCHEMBL5253510 0.81 MAPK14 (0.65) MAPK14MAPK11MAPK13MAPK12RAF1
SCHEMBL5258115 0.79 MAPK14 (0.52) MAPK14MAPK11MAPK13MAPK12RAF1
SCHEMBL5448062 0.77 MAPK14 (0.50) MAPK14MAPK11MAPK13MAPK12KCNH2
SCHEMBL7857232 0.77 MAPK14 (0.62) MAPK14MAPK11MAPK13MAPK12RAF1
SCHEMBL5258501 0.77 MAPK14 (0.62) MAPK14MAPK11MAPK13MAPK12RAF1
SCHEMBL14519381 0.77 TSHR (0.40) MAPK14MAPK11MAPK13MAPK12RAF1
SCHEMBL5259384 0.76 MAPK14 (0.52) MAPK14MAPK11KCNH2
SCHEMBL5446608 0.76 MAPK14 (0.53) MAPK14MAPK11MAPK13MAPK12RAF1

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 3 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
EP-1144403-B1 SUBSTITUTED PYRAZOLES AS P38 KINASE INHIBITORS SEARLE LLC (US) 2004-10-06 EP 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-20070078146-A1 Antiinflamamtory agents; antiarthritic agents; inflammatory bowel disorders; multiple sclerosis; asthma MAPK1, MAPK3, MAPK4 MAPK14 7/4885MAPK11 42/4885MAPK13 4/4885

“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.