SCHEMBL6219367

SCHEMBL6219367

Brc1n[nH]c(-c2ccccc2)c1-c1ccncc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.51
NPSR1 Q6W5P4 1/20 0.51
RPS6KA3 P51812 2/20 0.47
AURKA O14965 1/20 0.47
CDK1 P06493 1/20 0.47
LYN P07948 1/20 0.47
PIM1 P11309 1/20 0.47
FGFR1 P11362 1/20 0.47
PRKACA P17612 1/20 0.47
RPS6KB1 P23443 1/20 0.47
CDK2 P24941 1/20 0.47
MARK3 P27448 1/20 0.47
AKT1 P31749 1/20 0.47
GSK3B P49841 1/20 0.47
PRKCZ Q05513 1/20 0.47
PRKCD Q05655 1/20 0.47
ERBB4 Q15303 1/20 0.47
CDC42BPA Q5VT25 1/20 0.47
MARK2 Q7KZI7 1/20 0.47
AKT3 Q9Y243 1/20 0.47

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
SCHEMBL5248735 0.83 MAPK14 (0.68) MAPK14MAPK13MAPK12MAPK11GCGR
SCHEMBL5253523 0.79 AKT2 (0.58) MAPK1NPSR1RPS6KA3AURKACDK1
SCHEMBL6132051 0.79 MAPK1 (0.83) MAPK1NPSR1RPS6KA3AURKACDK1
SCHEMBL6078226 0.79 AKT2 (0.58) MAPK1NPSR1RPS6KA3AURKACDK1
SCHEMBL5256336 0.77 CHEK1 (0.54) MAPK1NPSR1RPS6KA3AURKACDK1
SCHEMBL6220413 0.76 MAPK14 (0.48) NOTUMMAPK14MAPK13MAPK12MAPK11
SCHEMBL11622011 0.74 KDM4E (0.47) MAPK1NPSR1RPS6KA3CDK2MARK3
SCHEMBL6220617 0.73 MAPK14 (0.45) MAPK14MAPK13MAPK12MAPK11GCGR
SCHEMBL5258728 0.73 MAPK14 (0.62) GSK3BMAPK14MAPK13MAPK12MAPK11
SCHEMBL27916613 0.72 ALDH1A1 (0.49) MAPK1NPSR1RPS6KA3AURKACDK1

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-20050159444-A1 Bicyclic unsaturated tertiary amine compounds SANKYO COMPANY, LIMITED (JP) 2005-07-21 US disclosed
EP-1541571-A1 BICYCLIC UNSATURATED TERTIARY AMINE COMPOUND Sankyo Company, Limited (JP) 2005-06-15 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-20050159444-A1 Bicyclic unsaturated tertiary amine compounds IL1B, IL1A, STAT6 MAPK1 285/4885NPSR1 263/4885RPS6KA3 807/4885

“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.