SCHEMBL4904720

SCHEMBL4904720

CC(N1CCOCC1)S(=O)(=O)c1cnc(N)nc1-c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.43
ADORA1 P30542 7/20 0.43
ADORA2A P29274 6/20 0.43
PIK3CA P42336 8/20 0.41
AKT1 P31749 6/20 0.41
MTOR P42345 3/20 0.40
ADORA3 P0DMS8 1/20 0.40
ADORA2B P29275 1/20 0.40
PIK3R1 P27986 1/20 0.38
LMNA P02545 1/20 0.38
ALOX5AP P20292 1/20 0.37
FEN1 P39748 1/20 0.37
ALDH1A1 P00352 1/20 0.37
CYP1A2 P05177 1/20 0.37
GLA P06280 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2C9 P11712 1/20 0.37
CASP1 P29466 1/20 0.37
CYP2C19 P33261 1/20 0.37
CASP7 P55210 1/20 0.37

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
SCHEMBL4904723 0.76 MEN1 (0.53) KMT2AADORA1ADORA2APIK3CAAKT1
SCHEMBL19066249 0.72 LMNA (0.52) ADORA1ADORA2ALMNA
SCHEMBL18335242 0.71 DHFR (0.56) ADORA1ADORA2APIK3CAAKT1MTOR
SCHEMBL4905051 0.70 ADORA1 (0.48) ADORA1ADORA2ALMNA
SCHEMBL4900909 0.68 ADORA1 (0.40) ADORA1ADORA2AADORA3ADORA2BLMNA
SCHEMBL4907336 0.68 ADORA2A (0.43) ADORA1ADORA2AADORA3ADORA2BLMNA
SCHEMBL4913514 0.64 ADORA2A (0.41) ADORA1ADORA2AADORA3ADORA2BLMNA
SCHEMBL4904708 0.64 ADORA2A (0.49) KMT2AADORA1ADORA2AMTORLMNA
SCHEMBL4694756 0.64 CA12 (0.41) KMT2ALMNAALDH1A1CYP3A4CYP2C19
SCHEMBL7708544 0.63 NOS1 (0.58) PIK3CAMTORPIK3R1LMNACASP1

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 KMT2A 1032/4885ADORA1 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.