SCHEMBL5852040

SCHEMBL5852040

CC(C)(C)N1CC=C(c2c[nH]c(-c3ccc(F)cc3)c2-c2ccncc2)CC1

nearest known ligand 0.56

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 7/20 0.56
MAPK11 Q15759 1/20 0.56
SIGMAR1 Q99720 1/20 0.40
PSD A5PKW4 1/20 0.40
GCGR P47871 3/20 0.40
BRAF P15056 1/20 0.37
SLC6A4 P31645 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
SCHEMBL5849881 0.86 MAPK14 (0.59) MAPK14MAPK11SIGMAR1SLC6A4
SCHEMBL5850534 0.83 MAPK11 (0.56) MAPK14MAPK11SIGMAR1PSD
SCHEMBL5849887 0.83 MAPK14 (0.56) MAPK14MAPK11SIGMAR1PSDGCGR
SCHEMBL5850306 0.81 MAPK11 (0.54) MAPK14MAPK11SIGMAR1
SCHEMBL5850090 0.81 MAPK14 (0.54) MAPK14MAPK11PSD
SCHEMBL15449630 0.79 MEN1 (0.51) MAPK14SIGMAR1
SCHEMBL5850036 0.78 SIGMAR1 (0.58) MAPK14MAPK11SIGMAR1SLC6A4
SCHEMBL5851954 0.78 DRD2 (0.53) MAPK14MAPK11SIGMAR1
SCHEMBL27562289 0.77 MAPK14 (0.52) MAPK14MAPK11SIGMAR1PSDGCGR
SCHEMBL5850315 0.76 SIGMAR1 (0.58) MAPK14MAPK11SIGMAR1

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
US-20050283006-A1 Heteroaryl-substituted pyrrole derivatives, their preparation and their therapeutic uses SANKYO COMPANY, LIMITED (JP) 2005-12-22 US disclosed
EP-1070711-B1 Heteroaryl-substituted pyrrole derivatives, their preparation and their therapeutic uses SANKYO CO (JP) 2004-04-14 EP 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 3630/4885SIGMAR1 881/4885
US-20050283006-A1 Heteroaryl-substituted pyrrole derivatives, their preparation and their therapeutic uses IL2, CNKSR1, IL1A MAPK14 4157/4885MAPK11 3723/4885SIGMAR1 882/4885
US-20040054173-A1 Heteroaryl-substituted pyrrole derivatives, their preparation and their therapeutic uses IL2, IL1B, IL1A MAPK14 3593/4885MAPK11 3364/4885SIGMAR1 502/4885

“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.