SCHEMBL4904064

SCHEMBL4904064

Nc1ncc(OCCCN2CCSCC2)c(-c2ccccc2)n1

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 13/20 0.48
ADORA1 P30542 11/20 0.48
ADORA2A P29274 10/20 0.48
ADORA2B P29275 7/20 0.48
ADORA3 P0DMS8 5/20 0.48
DRD2 P14416 2/20 0.47
DRD3 P35462 2/20 0.47
ACP1 P24666 1/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
TLR7 Q9NYK1 1/20 0.41

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
SCHEMBL4900919 0.94 ADORA1 (0.47) HRH3ADORA1ADORA2AADORA2BADORA3
SCHEMBL4904056 0.75 ADORA1 (0.39) ADORA1ADORA2AADORA2BADORA3
SCHEMBL4907739 0.74 HRH3 (0.48) HRH3ADORA1ADORA2AADORA2BADORA3
SCHEMBL4900909 0.74 ADORA1 (0.40) ADORA1ADORA2AADORA2BADORA3
SCHEMBL1332972 0.68 ADORA1 (0.52) ADORA1ADORA2A
SCHEMBL6847089 0.67 PRKD3 (0.54)
SCHEMBL11256796 0.67 HRH1 (0.60) DRD2DRD3
SCHEMBL3070853 0.67 MEN1 (0.44) HRH3ADORA1ADORA2AMEN1KMT2A
SCHEMBL14335032 0.66 HRH3 (0.40) HRH3DRD2DRD3
SCHEMBL18837264 0.66 LTA4H (0.56) HRH3MEN1KMT2A

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 HRH3 2604/4885ADORA1 680/4885ADORA2A 560/4885

“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.