SCHEMBL5849953

SCHEMBL5849953

Fc1ccc(-c2ccn(C3CCN(Cc4ccccc4)CC3)c2-c2ccnc(F)c2)cc1

nearest known ligand 0.52

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 1/20 0.52
EGFR P00533 1/20 0.45
DRD2 P14416 6/20 0.43
DRD4 P21917 6/20 0.43
DRD3 P35462 6/20 0.43
ALDH1A1 P00352 1/20 0.43
CSNK1D P48730 2/20 0.42
CSNK1E P49674 2/20 0.42
BCHE P06276 1/20 0.41
ACHE P22303 1/20 0.41
BACE1 P56817 1/20 0.41

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
SCHEMBL5850040 0.89 MAPK14 (0.49) MAPK14EGFRDRD2DRD4DRD3
SCHEMBL5850265 0.88 MAPK14 (0.51) MAPK14DRD2DRD4DRD3ALDH1A1
SCHEMBL5850054 0.81 MAPK14 (0.54) MAPK14EGFRDRD2DRD4DRD3
SCHEMBL5849784 0.80 MAPK14 (0.56) MAPK14DRD2DRD4DRD3ACHE
SCHEMBL5850106 0.80 MAPK14 (0.56) MAPK14EGFRDRD2DRD4DRD3
SCHEMBL5849524 0.78 MAPK14 (0.55) MAPK14EGFRDRD2DRD4DRD3
SCHEMBL4917883 0.73 MAPK14 (0.71) MAPK14EGFRCSNK1DCSNK1E
SCHEMBL5850066 0.69 MAPK14 (0.49) MAPK14CSNK1D
SCHEMBL5871750 0.69 ALDH1A1 (0.55) DRD2DRD4DRD3ALDH1A1BCHE
SCHEMBL5851962 0.69 MAPK14 (0.52) MAPK14

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 7 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
US-20040054173-A1 Heteroaryl-substituted pyrrole derivatives, their preparation and their therapeutic uses SANKYO COMPANY, LIMITED (JP) 2004-03-18 US disclosed
EP-1352906-A1 COMPOSITIONS FOR PREVENTION OR TREATMENT OF HEPATOPATHY Sankyo Company, Limited (JP) 2003-10-15 EP disclosed
EP-1243589-A1 Heteroaryl-substituted pyrrole derivates, their preparation and their therapeutic uses Sankyo Company Limited (JP) 2002-09-25 EP disclosed
EP-1070711-A2 Heteroaryl-substituted pyrrole derivatives, their preparation and their therapeutic uses Sankyo Company Limited (JP) 2001-01-24 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 (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 3902/4885EGFR 1799/4885DRD2 1496/4885
US-20050283006-A1 Heteroaryl-substituted pyrrole derivatives, their preparation and their therapeutic uses IL2, CNKSR1, IL1A MAPK14 4157/4885EGFR 1811/4885DRD2 812/4885
US-20040054173-A1 Heteroaryl-substituted pyrrole derivatives, their preparation and their therapeutic uses IL2, IL1B, IL1A MAPK14 3593/4885EGFR 1597/4885DRD2 905/4885

“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.