SCHEMBL5766412

SCHEMBL5766412

CCCCS[C@H]1C[C@@H]2CC(c3c[nH]c(-c4ccc(F)cc4)c3-c3ccncc3)=CCN2C1

nearest known ligand 0.43

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 6/20 0.43
MAPK11 Q15759 4/20 0.43
MAPK13 O15264 3/20 0.34
MAPK12 P53778 3/20 0.34
RIPK3 Q9Y572 1/20 0.33
GCGR P47871 1/20 0.31
SIGMAR1 Q99720 1/20 0.31

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
SCHEMBL5764935 0.92 MAPK14 (0.46) MAPK14MAPK11MAPK13MAPK12GCGR
SCHEMBL5763959 0.87 MAPK14 (0.48) MAPK14MAPK11MAPK13MAPK12GCGR
SCHEMBL5764709 0.84 MAPK14 (0.47) MAPK14MAPK11MAPK13MAPK12GCGR
SCHEMBL5764714 0.84 MAPK14 (0.47) MAPK14MAPK11MAPK13MAPK12GCGR
SCHEMBL5767024 0.82 MAPK14 (0.50) MAPK14MAPK11MAPK13MAPK12GCGR
SCHEMBL5767020 0.82 MAPK14 (0.50) MAPK14MAPK11MAPK13MAPK12GCGR
SCHEMBL5765487 0.82 MAPK14 (0.60) MAPK14MAPK11MAPK13MAPK12RIPK3
SCHEMBL5764597 0.82 MAPK14 (0.60) MAPK14MAPK11MAPK13MAPK12RIPK3
SCHEMBL5764156 0.81 MAPK14 (0.48) MAPK14MAPK11MAPK13MAPK12GCGR
SCHEMBL5765737 0.81 MAPK14 (0.50) MAPK14MAPK11MAPK13MAPK12GCGR

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
US-7122666-B2 Heteroaryl-substituted pyrrole derivatives, their preparation and their therapeutic uses SANKYO COMPANY, LIMITED (JP) 2006-10-17 US disclosed
US-20060128756-A1 Heteroaryl-substituted pyrrole derivatives, their preparation and their therapeutic uses SANKYO COMPANY, LIMITED (JP) 2006-06-15 US disclosed
EP-1377577-B1 PYRROLE DERIVATES FOR TREATING CYTOKINE MEDIATED DISEASES SANKYO CO (JP) 2006-06-14 EP disclosed
US-20050283006-A1 Heteroaryl-substituted pyrrole derivatives, their preparation and their therapeutic uses SANKYO COMPANY, LIMITED (JP) 2005-12-22 US disclosed
US-20040054173-A1 Heteroaryl-substituted pyrrole derivatives, their preparation and their therapeutic uses SANKYO COMPANY, LIMITED (JP) 2004-03-18 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 (3 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-20060128756-A1 Heteroaryl-substituted pyrrole derivatives, their preparation and their therapeutic uses IL2, IL1A, IL1B MAPK14 3902/4885MAPK11 3630/4885MAPK13 3723/4885
US-20050283006-A1 Heteroaryl-substituted pyrrole derivatives, their preparation and their therapeutic uses IL2, CNKSR1, IL1A MAPK14 4157/4885MAPK11 3723/4885MAPK13 3928/4885
US-20040054173-A1 Heteroaryl-substituted pyrrole derivatives, their preparation and their therapeutic uses IL2, IL1B, IL1A MAPK14 3593/4885MAPK11 3364/4885MAPK13 3231/4885

“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.