SCHEMBL4990134

SCHEMBL4990134

CNc1nccc(-c2cscc2N2CC3CCCNC3C2)n1

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HTR3A P46098 1/20 0.43
HRH4 Q9H3N8 6/20 0.37
UCHL1 P09936 1/20 0.36
PIK3C3 Q8NEB9 4/20 0.35
PIK3CD O00329 1/20 0.35
PIK3CA P42336 1/20 0.35
PIK3CG P48736 1/20 0.35
DYRK1A Q13627 1/20 0.34
FLT3 P36888 1/20 0.33
MAPK14 Q16539 1/20 0.33
WDR5 P61964 1/20 0.33
MAPK8 P45983 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
SCHEMBL4999121 0.80 HTR3A (0.42) HTR3AHRH4FLT3MAPK14MAPK8
SCHEMBL4990127 0.72 HRH4 (0.46) HTR3AHRH4
SCHEMBL4990139 0.72 HRH4 (0.46) HTR3AHRH4
SCHEMBL2580371 0.68 HRH4 (0.60) HTR3AHRH4MAPK8
SCHEMBL2580361 0.68 HRH4 (0.60) HTR3AHRH4MAPK8
SCHEMBL2580369 0.68 HRH4 (0.60) HTR3AHRH4MAPK8
SCHEMBL4999115 0.67 HRH4 (0.46) HTR3AHRH4
SCHEMBL4999125 0.67 HRH4 (0.46) HTR3AHRH4
SCHEMBL18550559 0.65 HRH4 (0.56) HTR3AHRH4
SCHEMBL18550560 0.65 HRH4 (0.56) HTR3AHRH4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080194577-A1 Antiallergens; asthma; autoimmune disease; pruritius; antiarthritic agents JANSSEN PHARMACEUTICA N.V. (BE) 2008-08-14 US claimed

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-20080194577-A1 Antiallergens; asthma; autoimmune disease; pruritius; antiarthritic agents HRH4, HRH2, HRH3 HTR3A 333/4885HRH4 1/4885UCHL1 4589/4885

“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.