SCHEMBL5850106

SCHEMBL5850106

CSc1nccc(-c2c(-c3ccc(F)cc3)ccn2C2CCN(Cc3ccccc3)CC2)n1

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 7/20 0.56
MAPK13 O15264 1/20 0.42
MAPK12 P53778 1/20 0.42
MAPK11 Q15759 1/20 0.42
CSNK1E P49674 2/20 0.42
CCNA2 P20248 1/20 0.42
CDK2 P24941 1/20 0.42
CDK5 Q00535 1/20 0.42
CDK5R1 Q15078 1/20 0.42
DRD2 P14416 3/20 0.41
DRD4 P21917 3/20 0.41
DRD3 P35462 3/20 0.41
AKT1 P31749 3/20 0.41
AKT2 P31751 3/20 0.41
CSNK1D P48730 1/20 0.41
EGFR P00533 1/20 0.40
ACHE P22303 1/20 0.40
BACE1 P56817 1/20 0.40
SSTR5 P35346 1/20 0.39

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
SCHEMBL5849784 0.86 MAPK14 (0.56) MAPK14MAPK13MAPK12MAPK11DRD2
SCHEMBL5849524 0.84 MAPK14 (0.55) MAPK14CSNK1EDRD2DRD4DRD3
SCHEMBL5849953 0.80 MAPK14 (0.52) MAPK14CSNK1EDRD2DRD4DRD3
SCHEMBL5850265 0.79 MAPK14 (0.51) MAPK14MAPK13MAPK12MAPK11DRD2
SCHEMBL5850054 0.79 MAPK14 (0.54) MAPK14DRD2DRD4DRD3AKT1
SCHEMBL5850040 0.79 MAPK14 (0.49) MAPK14MAPK13MAPK12MAPK11DRD2
SCHEMBL4585095 0.72 MAPK14 (1.00) MAPK14MAPK13MAPK12MAPK11CSNK1E
SCHEMBL4585943 0.70 MAPK14 (0.74) MAPK14MAPK13MAPK12MAPK11CSNK1E
SCHEMBL20550894 0.69 MAPK14 (0.77) MAPK14CSNK1ECSNK1D
SCHEMBL6962734 0.68 MAPK14 (0.75) MAPK14CSNK1ECSNK1DEGFRACHE

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 8 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
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 3902/4885MAPK13 3723/4885MAPK12 3670/4885
US-20050283006-A1 Heteroaryl-substituted pyrrole derivatives, their preparation and their therapeutic uses IL2, CNKSR1, IL1A MAPK14 4157/4885MAPK13 3928/4885MAPK12 3800/4885
US-20040054173-A1 Heteroaryl-substituted pyrrole derivatives, their preparation and their therapeutic uses IL2, IL1B, IL1A MAPK14 3593/4885MAPK13 3231/4885MAPK12 3679/4885

“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.