SCHEMBL5649753

SCHEMBL5649753

NC(=O)c1ccc([C@@H]2C[C@H]3C=C(c4c[nH]c(-c5ccc(F)c(Cl)c5)c4-c4ccncc4)CCN3C2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK11 Q15759 1/20 0.47
MAPK14 Q16539 1/20 0.47
SLC6A2 P23975 2/20 0.32
SLC6A4 P31645 2/20 0.32
SLC6A3 Q01959 2/20 0.32
CDK8 P49336 2/20 0.32
CDC7 O00311 1/20 0.32
PLK4 O00444 1/20 0.32
CHEK1 O14757 1/20 0.32
MAPK13 O15264 1/20 0.32
PDPK1 O15530 1/20 0.32
DAPK3 O43293 1/20 0.32
DYRK3 O43781 1/20 0.32
ROCK2 O75116 1/20 0.32
PRKD3 O94806 1/20 0.32
MAP4K4 O95819 1/20 0.32
ABL1 P00519 1/20 0.32
PRKCG P05129 1/20 0.32
CDK1 P06493 1/20 0.32
ROS1 P08922 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
SCHEMBL5649869 0.93 MAPK14 (0.48) MAPK11MAPK14PRKAA1F9F11
SCHEMBL5667069 0.91 MAPK11 (0.46) MAPK11MAPK14ROCK2MAP4K4PRKACA
SCHEMBL5647681 0.91 MAPK11 (0.46) MAPK11MAPK14MAPK13MAPK12PRKAA1
SCHEMBL5651398 0.91 MAPK11 (0.46) MAPK11MAPK14ROCK2MAP4K4PRKACA
SCHEMBL5665804 0.89 MAPK14 (0.60) MAPK11MAPK14CDC7
SCHEMBL5666621 0.89 MAPK14 (0.60) MAPK11MAPK14CDC7
SCHEMBL6219051 0.88 MAPK11 (0.52) MAPK11MAPK14KDRSLC9A1
SCHEMBL5651405 0.82 MAPK14 (0.61) MAPK11MAPK14MAPK13MAPK12
SCHEMBL6220240 0.81 MAPK14 (0.53) MAPK11MAPK14MAPK13MAPK12
SCHEMBL6219480 0.81 MAPK11 (0.54) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070049620-A1 Cyclic tertiary amine compound SANKYO COMPANY, LIMITED (JP) 2007-03-01 US disclosed
EP-1632488-A1 CYCLIC TERTIARY AMINE COMPOUND Sankyo Company, Limited (JP) 2006-03-08 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 (1 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-20070049620-A1 Cyclic tertiary amine compound MYD88, IL5, BRD4 MAPK11 520/4885MAPK14 467/4885SLC6A2 3704/4885

“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.