SCHEMBL5850082

SCHEMBL5850082

C1=C(c2c[nH]c(-c3ccccc3)c2-c2ccncc2)CC2CCCN2C1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK11 Q15759 4/20 0.51
MAPK14 Q16539 4/20 0.51
MAPK13 O15264 3/20 0.40
MAPK12 P53778 3/20 0.40
PARP1 P09874 5/20 0.36
SLC18A3 Q16572 2/20 0.36
HTR6 P50406 1/20 0.34
SIGMAR1 Q99720 1/20 0.33
CDC42BPA Q5VT25 2/20 0.32
AURKA O14965 1/20 0.32
CDK1 P06493 1/20 0.32
LYN P07948 1/20 0.32
PIM1 P11309 1/20 0.32
FGFR1 P11362 1/20 0.32
PRKACA P17612 1/20 0.32
RPS6KB1 P23443 1/20 0.32
CDK2 P24941 1/20 0.32
MARK3 P27448 1/20 0.32
AKT1 P31749 1/20 0.32
GSK3B P49841 1/20 0.32

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
SCHEMBL5850103 0.90 MAPK14 (0.64) MAPK11MAPK14MAPK13MAPK12
SCHEMBL5851727 0.88 MAPK11 (0.51) MAPK11MAPK14MAPK13MAPK12HTR6
SCHEMBL5850323 0.88 MAPK14 (0.46) MAPK11MAPK14MAPK13MAPK12HTR6
SCHEMBL5849928 0.87 MAPK14 (0.61) MAPK11MAPK14MAPK13MAPK12
SCHEMBL5850331 0.86 MAPK14 (0.44) MAPK11MAPK14MAPK13MAPK12RPS6KB1
SCHEMBL5850032 0.85 MAPK11 (0.52) MAPK11MAPK14MAPK13MAPK12HTR6
SCHEMBL5850081 0.77 MAPK11 (0.81) MAPK11MAPK14MAPK13MAPK12PARP1
SCHEMBL5765469 0.75 MAPK14 (0.47) MAPK11MAPK14MAPK13MAPK12
SCHEMBL5765474 0.75 MAPK14 (0.47) MAPK11MAPK14MAPK13MAPK12
SCHEMBL5764142 0.74 MAPK14 (0.47) MAPK11MAPK14MAPK13MAPK12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060128756-A1 Heteroaryl-substituted pyrrole derivatives, their preparation and their therapeutic uses SANKYO COMPANY, LIMITED (JP) 2006-06-15 US claimed
EP-1070711-B1 Heteroaryl-substituted pyrrole derivatives, their preparation and their therapeutic uses SANKYO CO (JP) 2004-04-14 EP claimed
US-20040054173-A1 Heteroaryl-substituted pyrrole derivatives, their preparation and their therapeutic uses SANKYO COMPANY, LIMITED (JP) 2004-03-18 US claimed
EP-1352906-A1 COMPOSITIONS FOR PREVENTION OR TREATMENT OF HEPATOPATHY Sankyo Company, Limited (JP) 2003-10-15 EP claimed
EP-1070711-A2 Heteroaryl-substituted pyrrole derivatives, their preparation and their therapeutic uses Sankyo Company Limited (JP) 2001-01-24 EP claimed
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 MAPK11 3630/4885MAPK14 3902/4885MAPK13 3723/4885
US-20050283006-A1 Heteroaryl-substituted pyrrole derivatives, their preparation and their therapeutic uses IL2, CNKSR1, IL1A MAPK11 3723/4885MAPK14 4157/4885MAPK13 3928/4885
US-20040054173-A1 Heteroaryl-substituted pyrrole derivatives, their preparation and their therapeutic uses IL2, IL1B, IL1A MAPK11 3364/4885MAPK14 3593/4885MAPK13 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.