SCHEMBL5997587

SCHEMBL5997587

N#CCCCC#Cc1nc(-c2ccc(F)cc2)c(-c2ccncc2)n1CCCc1ccccc1

nearest known ligand 0.80

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 19/20 0.80
MAPK11 Q15759 9/20 0.48
MAP4K4 O95819 1/20 0.48
RIPK3 Q9Y572 1/20 0.42
MAPK13 O15264 8/20 0.41
MAPK12 P53778 8/20 0.41
GCGR P47871 1/20 0.41
MAPK10 P53779 1/20 0.40

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
SCHEMBL5998654 0.93 MAPK14 (0.87) MAPK14MAPK11MAP4K4MAPK13MAPK12
SCHEMBL5999009 0.90 MAPK14 (0.91) MAPK14MAPK11MAP4K4MAPK13MAPK12
SCHEMBL1127681 0.90 MAPK14 (0.81) MAPK14MAPK11MAP4K4MAPK13MAPK12
SCHEMBL7145536 0.89 MAPK14 (0.89) MAPK14MAPK11MAP4K4MAPK13MAPK12
SCHEMBL13035057 0.89 MAPK14 (0.82) MAPK14MAPK11MAP4K4MAPK13MAPK12
SCHEMBL7141213 0.89 MAPK14 (0.82) MAPK14MAPK11MAP4K4MAPK13MAPK12
Rwj-67657 SCHEMBL162010 0.89 MAPK14 (1.00) MAPK14MAPK11MAP4K4MAPK13MAPK12
SCHEMBL12856400 0.89 MAPK14 (1.00) MAPK14MAPK11MAP4K4MAPK13MAPK12
SCHEMBL7136973 0.88 MAPK14 (0.78) MAPK14MAPK11MAP4K4RIPK3MAPK13
SCHEMBL1127710 0.88 MAPK14 (0.78) MAPK14MAPK11MAP4K4MAPK13MAPK12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1028954-B1 SUBSTITUTED IMIDAZOLES USEFUL IN THE TREATMENT OF INFLAMMATORY DISEASES ORTHO MCNEIL PHARM INC (US) 2003-07-02 EP claimed
EP-1028954-A1 SUBSTITUTED IMIDAZOLES USEFUL IN THE TREATMENT OF INFLAMMATORY DISEASES Ortho-McNeil Pharmaceutical, Inc. (US) 2000-08-23 EP claimed
US-5965583-A ANTIINFLAMMATORY AGENTS IN THE TREATMENT OF DISEASES ASSOCIATED WITH OVERPRODUCTION OF INFLAMMATORY CYTOKINES ORTHO-MCNEIL PHARMACEUTICAL, INC. (US) 1999-10-12 US claimed
WO-1998047892-A1 SUBSTITUTED IMIDAZOLES USEFUL IN THE TREATMENT OF INFLAMMATORY DISEASES ORTHO-MCNEIL CORPORATION, INC. (US) 1998-10-29 WO claimed
US-20060241150-A1 P38 kinase inhibitor compositions and methods of using the same THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA 2006-10-26 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-20060241150-A1 P38 kinase inhibitor compositions and methods of using the same MAPK7, MAPK1, MAP3K7 MAPK14 19/4885MAPK11 54/4885MAP4K4 66/4885

“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.