SCHEMBL4883383

SCHEMBL4883383

Nc1nccc(-c2cccc(OCC3CCOCC3)c2)n1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
DHFR P00374 1/20 0.46
DCPS Q96C86 1/20 0.46
HSP90AA1 P07900 2/20 0.43
AURKA O14965 1/20 0.43
PRKACA P17612 1/20 0.43
ADORA2A P29274 1/20 0.43
MAOB P27338 2/20 0.43
IGF1R P08069 2/20 0.42
CYP2D6 P10635 2/20 0.42
LRRK2 Q5S007 1/20 0.41
XDH P47989 1/20 0.41
BACE1 P56817 1/20 0.41
PIM1 P11309 1/20 0.41
MAOA P21397 1/20 0.40
SLC2A1 P11166 1/20 0.40
HSP90AB1 P08238 1/20 0.40
PTK2 Q05397 1/20 0.40
MAP4K4 O95819 1/20 0.40

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
SCHEMBL4705549 0.76 ALDH1A1 (0.52) MEN1KMT2AMAOBMAOAMAP4K4
SCHEMBL14048250 0.76 TP53 (0.49) DHFRDCPSMAOBCYP2D6SLC2A1
SCHEMBL22306050 0.75 XDH (0.49) MEN1KMT2ALRRK2XDHBACE1
SCHEMBL3416643 0.74 DHFR (0.49) DHFRDCPSCYP2D6LRRK2
SCHEMBL26071006 0.74 CYP2D6 (0.42) DHFRDCPSIGF1RCYP2D6LRRK2
SCHEMBL15650217 0.73 ADORA2A (0.57) MEN1KMT2AHSP90AA1AURKAPRKACA
SCHEMBL3455914 0.72 CCNA2 (0.47) DHFRDCPSLRRK2
SCHEMBL12270003 0.71 CTSA (0.51) IGF1RLRRK2BACE1
SCHEMBL5225822 0.71 MEN1 (0.54) MEN1KMT2AHSP90AA1AURKAPRKACA
SCHEMBL21477274 0.70 CYP2D6 (0.46) DHFRDCPSCYP2D6PIM1SLC2A1

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 1032/4885DHFR 404/4885

“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.