SCHEMBL4907336

SCHEMBL4907336

CC(Oc1c(N)nc(N)nc1-c1ccccc1)N1CCOCC1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 6/20 0.43
ADORA1 P30542 6/20 0.43
ADORA3 P0DMS8 1/20 0.40
ADORA2B P29275 1/20 0.40
HSD17B10 Q99714 3/20 0.39
TSHR P16473 3/20 0.39
AR P10275 2/20 0.39
ALDH1A1 P00352 2/20 0.39
KDM4E B2RXH2 1/20 0.39
HPGD P15428 1/20 0.39
LMNA P02545 2/20 0.39
MAPT P10636 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
CASP1 P29466 1/20 0.39
ALOX15 P16050 1/20 0.37
NOS1 P29475 1/20 0.37
CSNK1A1 P48729 1/20 0.36
CLK4 Q9HAZ1 1/20 0.36

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
SCHEMBL4913514 0.86 ADORA2A (0.41) ADORA2AADORA1ADORA3ADORA2BHSD17B10
SCHEMBL4907346 0.81 ADORA2A (0.41) ADORA2AADORA1ADORA3ADORA2BHSD17B10
SCHEMBL4907732 0.72 ADORA2A (0.37) ADORA2AADORA1
SCHEMBL11126188 0.71 AR (0.39) ADORA1ADORA3HSD17B10TSHRAR
SCHEMBL4913532 0.71 DHFR (0.44) ADORA2AADORA1ADORA3ADORA2BALDH1A1
SCHEMBL11179968 0.70 AR (0.40) HSD17B10TSHRARALDH1A1KDM4E
SCHEMBL4900909 0.69 ADORA1 (0.40) ADORA2AADORA1ADORA3ADORA2BLMNA
SCHEMBL4904720 0.68 KMT2A (0.43) ADORA2AADORA1ADORA3ADORA2BHSD17B10
SCHEMBL4258091 0.67 CHUK (0.47) ADORA2AADORA1ALDH1A1
SCHEMBL5533681 0.67 KMT2A (0.41) ADORA2AHSD17B10TSHRALDH1A1KDM4E

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 ADORA2A 560/4885ADORA1 680/4885ADORA3 587/4885

“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.