SCHEMBL5998450

SCHEMBL5998450

Nc1ncc(N)c(-c2ccc(OCCN3CCCC3)cc2)n1

nearest known ligand 0.55

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 8/20 0.55
LTA4H P09960 7/20 0.55
PTGS1 P23219 1/20 0.53
PTGS2 P35354 1/20 0.53
ADORA2A P29274 7/20 0.53
ADORA1 P30542 5/20 0.53
ADORA2B P29275 1/20 0.52
PSMB1 P20618 1/20 0.49
PSMB5 P28074 1/20 0.49
PSMB2 P49721 1/20 0.49
ACHE P22303 1/20 0.48

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
SCHEMBL2493839 0.85 LTA4H (0.60) HRH3LTA4HADORA2AADORA1ADORA2B
SCHEMBL265809 0.82 LTA4H (0.55) HRH3LTA4HPTGS1PTGS2ADORA2A
SCHEMBL4080135 0.78 LTA4H (0.56) HRH3LTA4HPTGS1PTGS2PSMB1
SCHEMBL28997664 0.74 LTA4H (0.55) HRH3LTA4HPTGS1PTGS2PSMB1
SCHEMBL11242966 0.74 HRH3 (0.51) HRH3LTA4HPTGS1PTGS2ADORA2A
SCHEMBL56495 0.74 LTA4H (0.90) HRH3LTA4HPTGS1PTGS2PSMB1
SCHEMBL8096602 0.73 NOS3 (0.60) HRH3LTA4HPTGS1PTGS2ADORA2A
SCHEMBL23724061 0.73 LTA4H (0.87) HRH3LTA4HPTGS1PTGS2PSMB1
SCHEMBL3937460 0.73 LTA4H (0.87) HRH3LTA4HPTGS1PTGS2PSMB1
Hydrochloric Acid SCHEMBL15254264 0.73 LTA4H (0.87) HRH3LTA4HPTGS1PTGS2PSMB1

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-20060247250-A1 Pyrimidine inhibitors of kinases TARGEGEN, INC. (US) 2006-11-02 US 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-20060247250-A1 Pyrimidine inhibitors of kinases DTYMK, SRC, DCK HRH3 2085/4885LTA4H 3257/4885PTGS1 2666/4885

“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.