SCHEMBL5762860

SCHEMBL5762860

CC1CC2C=C(c3c[nH]c(-c4cccc(F)c4)c3-c3ccncc3)CCN2C1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK11 Q15759 4/20 0.56
MAPK14 Q16539 4/20 0.56
GSK3B P49841 6/20 0.37
MAPK13 O15264 3/20 0.36
MAPK12 P53778 3/20 0.36
RAF1 P04049 2/20 0.36
DYRK1A Q13627 1/20 0.36
LRRK2 Q5S007 2/20 0.35
CDC7 O00311 2/20 0.32
ROCK2 O75116 1/20 0.31
MAP4K4 O95819 1/20 0.31
PIM1 P11309 1/20 0.31
PRKACA P17612 1/20 0.31
CDK2 P24941 1/20 0.31
HIPK2 Q9H2X6 1/20 0.31
CLK4 Q9HAZ1 1/20 0.31
IRAK4 Q9NWZ3 1/20 0.31
CCNT1 O60563 1/20 0.31
CDK9 P50750 1/20 0.31
CYP3A4 P08684 2/20 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
SCHEMBL5764383 0.90 MAPK14 (0.50) MAPK11MAPK14GSK3BMAPK13MAPK12
SCHEMBL5765383 0.90 MAPK11 (0.57) MAPK11MAPK14GSK3BMAPK13MAPK12
SCHEMBL5764807 0.89 MAPK11 (0.56) MAPK11MAPK14GSK3BMAPK13MAPK12
SCHEMBL5763875 0.89 MAPK14 (0.71) MAPK11MAPK14MAPK13MAPK12CYP3A4
SCHEMBL5762518 0.89 MAPK14 (0.71) MAPK11MAPK14MAPK13MAPK12CYP3A4
SCHEMBL5764488 0.89 MAPK14 (0.49) MAPK11MAPK14MAPK13MAPK12RAF1
SCHEMBL5763943 0.89 MAPK11 (0.54) MAPK11MAPK14GSK3BMAPK13MAPK12
SCHEMBL5765535 0.89 MAPK11 (0.54) MAPK11MAPK14GSK3BMAPK13MAPK12
SCHEMBL5764936 0.88 MAPK11 (0.42) MAPK11MAPK14GSK3BLRRK2CDC7
SCHEMBL5763781 0.88 MAPK14 (0.54) MAPK11MAPK14GSK3BMAPK13MAPK12

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 10 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 claimed
EP-1377577-B1 PYRROLE DERIVATES FOR TREATING CYTOKINE MEDIATED DISEASES SANKYO CO (JP) 2006-06-14 EP claimed
US-20040054173-A1 Heteroaryl-substituted pyrrole derivatives, their preparation and their therapeutic uses SANKYO COMPANY, LIMITED (JP) 2004-03-18 US claimed
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
EP-1377577-A1 PYRROLE DERIVATES FOR TREATING CYTOKINE MEDIATED DISEASES Sankyo Company Limited (JP) 2004-01-07 EP disclosed
WO-2002057264-A1 PYRROLE DERIVATES FOR TREATING CYTOKINE MEDIATED DISEASES SANKYO COMPANY LIMITED (JP) 2002-07-25 WO 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 3902/4885GSK3B 2804/4885
US-20050283006-A1 Heteroaryl-substituted pyrrole derivatives, their preparation and their therapeutic uses IL2, CNKSR1, IL1A MAPK11 3723/4885MAPK14 4157/4885GSK3B 2817/4885
US-20040054173-A1 Heteroaryl-substituted pyrrole derivatives, their preparation and their therapeutic uses IL2, IL1B, IL1A MAPK11 3364/4885MAPK14 3593/4885GSK3B 4064/4885

“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.