SCHEMBL14519600

SCHEMBL14519600

CN1CCN(c2[nH]nc(-c3cccc(Br)c3)c2-c2ccncc2)CC1

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 13/20 0.52
MAPK11 Q15759 10/20 0.52
MAPK13 O15264 2/20 0.46
MAPK12 P53778 2/20 0.46
CSNK1D P48730 3/20 0.42
MAP4K1 Q92918 1/20 0.40
RIPK3 Q9Y572 3/20 0.40
GCGR P47871 1/20 0.38
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.38
TSHR P16473 1/20 0.38
MAPK1 P28482 1/20 0.38
LATS1 O95835 1/20 0.37

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
SCHEMBL14411064 0.87 MAPK14 (0.67) MAPK14MAPK11MAPK13MAPK12CSNK1D
SCHEMBL14519619 0.85 MAPK14 (0.52) MAPK14MAPK11MAPK13MAPK12CSNK1D
SCHEMBL14411354 0.85 MAPK14 (0.53) MAPK14MAPK11MAPK13MAPK12CSNK1D
SCHEMBL5476337 0.83 MAPK14 (0.65) MAPK14MAPK11MAPK13MAPK12CSNK1D
SCHEMBL14519601 0.81 MAPK11 (0.50) MAPK14MAPK11MAPK13MAPK12CSNK1D
SCHEMBL14519572 0.80 MAPK14 (0.52) MAPK14MAPK11MAPK13MAPK12CSNK1D
SCHEMBL14519561 0.80 MAPK11 (0.55) MAPK14MAPK11MAPK13MAPK12CSNK1D
SCHEMBL14411243 0.79 MAPK14 (0.65) MAPK14MAPK11MAPK13MAPK12CSNK1D
SCHEMBL14411362 0.78 MAPK11 (0.37) MAPK14MAPK11MAP4K1ALDH1A1
SCHEMBL14519598 0.78 MAPK11 (0.53) MAPK14MAPK11MAPK13MAPK12CSNK1D

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 1 patent. 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

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.