SCHEMBL5651398

SCHEMBL5651398

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

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK11 Q15759 1/20 0.46
MAPK14 Q16539 1/20 0.46
BRAF P15056 1/20 0.35
RPS6KA3 P51812 1/20 0.34
SLC9A1 P19634 2/20 0.32
ITK Q08881 1/20 0.32
MGLL Q99685 3/20 0.31
CYP11B1 P15538 1/20 0.31
CYP11B2 P19099 1/20 0.31
BTK Q06187 2/20 0.31
USP30 Q70CQ3 1/20 0.31
CCNT1 O60563 1/20 0.30
CDK9 P50750 1/20 0.30
ROCK2 O75116 1/20 0.30
RPS6KA5 O75582 1/20 0.30
MAP4K4 O95819 1/20 0.30
PRKACA P17612 1/20 0.30
RPS6KB1 P23443 1/20 0.30
MAPK1 P28482 1/20 0.30
AKT1 P31749 1/20 0.30

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
SCHEMBL5667069 1.00 MAPK11 (0.46) MAPK11MAPK14BRAFRPS6KA3SLC9A1
SCHEMBL5647681 0.91 MAPK11 (0.46) MAPK11MAPK14SLC9A1MGLL
SCHEMBL5649869 0.91 MAPK14 (0.48) MAPK11MAPK14SLC9A1MGLLUSP30
SCHEMBL5649753 0.91 MAPK11 (0.47) MAPK11MAPK14RPS6KA3SLC9A1MGLL
SCHEMBL5751855 0.90 MAPK11 (0.58) MAPK11MAPK14BRAFRPS6KA3
SCHEMBL5650802 0.90 MAPK11 (0.58) MAPK11MAPK14BRAFRPS6KA3
SCHEMBL6219051 0.86 MAPK11 (0.52) MAPK11MAPK14SLC9A1
SCHEMBL5651554 0.82 MAPK14 (0.55) MAPK11MAPK14BTK
SCHEMBL5648626 0.82 MAPK11 (0.57) MAPK11MAPK14
SCHEMBL5667585 0.82 MAPK14 (0.55) MAPK11MAPK14BTK

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 4 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 claimed
EP-1632488-A1 CYCLIC TERTIARY AMINE COMPOUND Sankyo Company, Limited (JP) 2006-03-08 EP claimed
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 467/4885BRAF 381/4885

“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.