SCHEMBL4900919

SCHEMBL4900919

Nc1ncc(OCCN2CCSCC2)c(-c2ccccc2)n1

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 11/20 0.47
ADORA2A P29274 10/20 0.47
ADORA2B P29275 7/20 0.44
ADORA3 P0DMS8 6/20 0.44
HRH3 Q9Y5N1 11/20 0.41
DRD2 P14416 2/20 0.41
DRD3 P35462 2/20 0.41
LMNA P02545 2/20 0.41
HTT P42858 1/20 0.41
POLB P06746 1/20 0.39
LTA4H P09960 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39

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
SCHEMBL4904064 0.94 HRH3 (0.48) ADORA1ADORA2AADORA2BADORA3HRH3
SCHEMBL4904056 0.76 ADORA1 (0.39) ADORA1ADORA2AADORA2BADORA3LMNA
SCHEMBL4900909 0.75 ADORA1 (0.40) ADORA1ADORA2AADORA2BADORA3LMNA
SCHEMBL3070853 0.72 MEN1 (0.44) ADORA1ADORA2AHRH3LMNAHTT
SCHEMBL25399700 0.69 LTA4H (0.46) HRH3LTA4HMEN1KMT2A
SCHEMBL1332972 0.69 ADORA1 (0.52) ADORA1ADORA2A
SCHEMBL4258096 0.68 ADORA1 (0.51) ADORA1ADORA2AADORA2BADORA3HRH3
SCHEMBL4907739 0.68 HRH3 (0.48) ADORA1ADORA2AADORA2BADORA3HRH3
SCHEMBL5998450 0.67 HRH3 (0.55) ADORA1ADORA2AADORA2BHRH3LTA4H
SCHEMBL7324811 0.66 ALDH1A1 (0.57) DRD2DRD3HTTMEN1KMT2A

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-8349859-B2 Pyrimidine derivatives HUTCHISON MEDIPHARMA ENTERPRISES LIMITED (BS) 2013-01-08 US disclosed
US-20080255172-A1 N4-(2-methyl-1H-indol-5-yl)-N2-phenylpyrimidine-2,4-diamine; angiogenesis related disorder like cancer or age-related macular degeneration HUTCHISON MEDIPHARMA ENTERPRISES LIMETED (BS) 2008-10-16 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-20080255172-A1 N4-(2-methyl-1H-indol-5-yl)-N2-phenylpyrimidine-2,4-diamine; angiogenesis related disorder like cancer or age-related macular degeneration CCND2, KDR, FLT4 ADORA1 680/4885ADORA2A 560/4885ADORA2B 726/4885

“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.