SCHEMBL4904056

SCHEMBL4904056

CCC(Oc1cnc(N)nc1-c1ccccc1)N1CCSCC1

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 15/20 0.39
ADORA2A P29274 11/20 0.37
LMNA P02545 2/20 0.36
GAA P10253 1/20 0.36
MAPK10 P53779 1/20 0.36
FLT1 P17948 1/20 0.34
KDR P35968 1/20 0.34
TEK Q02763 1/20 0.34
ADORA3 P0DMS8 1/20 0.34
ADORA2B P29275 1/20 0.34

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
SCHEMBL4900909 0.86 ADORA1 (0.40) ADORA1ADORA2ALMNAFLT1KDR
SCHEMBL4907732 0.82 ADORA2A (0.37) ADORA1ADORA2A
SCHEMBL4907744 0.76 DHFR (0.44) ADORA1ADORA2A
SCHEMBL4900919 0.76 ADORA1 (0.47) ADORA1ADORA2ALMNAADORA3ADORA2B
SCHEMBL4904064 0.75 HRH3 (0.48) ADORA1ADORA2AADORA3ADORA2B
SCHEMBL4913514 0.71 ADORA2A (0.41) ADORA1ADORA2ALMNAADORA3ADORA2B
SCHEMBL1332974 0.69 ADORA1 (0.48) ADORA1ADORA2ALMNA
SCHEMBL12473793 0.67 ADORA1 (0.50) ADORA1ADORA2ALMNAGAAMAPK10
SCHEMBL4900894 0.67 L3MBTL1 (0.45) ADORA1ADORA2A
SCHEMBL11996660 0.66 ADORA1 (0.49) ADORA1ADORA2ALMNAGAAMAPK10

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 ADORA1 680/4885ADORA2A 560/4885LMNA 3037/4885

“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.