SCHEMBL4904723

SCHEMBL4904723

Nc1ncc(S(=O)(=O)CCN2CCOCC2)c(-c2ccccc2)n1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.53
KMT2A Q03164 2/20 0.53
ADORA2A P29274 6/20 0.48
ADORA1 P30542 6/20 0.48
ADORA3 P0DMS8 1/20 0.48
ADORA2B P29275 1/20 0.48
ALOX5AP P20292 1/20 0.41
FEN1 P39748 1/20 0.41
PIK3CA P42336 6/20 0.41
AKT1 P31749 5/20 0.41
MTOR P42345 3/20 0.41
ALDH1A1 P00352 2/20 0.40
TSHR P16473 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
ATR Q13535 1/20 0.40
KDM4E B2RXH2 1/20 0.39
GAA P10253 1/20 0.39
HPGD P15428 1/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 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
SCHEMBL4904720 0.76 KMT2A (0.43) KMT2AADORA2AADORA1ADORA3ADORA2B
SCHEMBL4905051 0.75 ADORA1 (0.48) ADORA2AADORA1ATRGAA
SCHEMBL18335242 0.71 DHFR (0.56) ADORA2AADORA1PIK3CAAKT1MTOR
SCHEMBL19066249 0.70 LMNA (0.52) ADORA2AADORA1ATR
Hydrochloric Acid SCHEMBL11529235 0.70 KMT2A (0.97) MEN1KMT2AALDH1A1TSHRSMN1; SMN2
SCHEMBL4904708 0.66 ADORA2A (0.49) MEN1KMT2AADORA2AADORA1MTOR
SCHEMBL2877372 0.66 MEN1 (0.62) MEN1KMT2AADORA2AADORA1ALOX5AP
SCHEMBL5261643 0.66 KMT2A (0.72) MEN1KMT2AALDH1A1SMN1; SMN2GAA
SCHEMBL1830502 0.66 ADORA2A (1.00) ADORA2AADORA1ADORA3ADORA2B
SCHEMBL13408045 0.65 MEN1 (0.69) MEN1KMT2AALDH1A1TSHRSMN1; SMN2

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 MEN1 1981/4885KMT2A 1032/4885ADORA2A 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.