SCHEMBL4905047

SCHEMBL4905047

CCS(=O)(=O)c1nc(N)ncc1-c1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 11/20 0.47
ADORA2A P29274 6/20 0.47
LMNA P02545 1/20 0.45
GAA P10253 1/20 0.45
MAPK10 P53779 1/20 0.45
GFER P55789 1/20 0.43
KMT2A Q03164 1/20 0.43
DHFR P00374 1/20 0.42
ATR Q13535 1/20 0.40
MAPT P10636 1/20 0.40
NPSR1 Q6W5P4 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
SCHEMBL19066248 0.84 ADORA1 (0.49) ADORA1ADORA2ALMNAGAAMAPK10
SCHEMBL4905051 0.76 ADORA1 (0.48) ADORA1ADORA2ALMNAGAAMAPK10
SCHEMBL15156677 0.74 DHFR (0.54) ADORA1ADORA2ALMNAGAAMAPK10
SCHEMBL14726402 0.72 ADORA1 (0.56) ADORA1ADORA2AGFERKMT2ADHFR
SCHEMBL1317365 0.71 DHFR (0.66) ADORA1ADORA2AGFERKMT2ADHFR
SCHEMBL30453734 0.71 DHFR (0.66) ADORA1ADORA2AGFERKMT2ADHFR
SCHEMBL4582424 0.70 ADORA1 (0.83) ADORA1ADORA2AGFERKMT2AMAPT
Hydrochloric Acid SCHEMBL1091696 0.70 DHFR (0.64) ADORA1ADORA2AGFERKMT2ADHFR
Hydrochloric Acid SCHEMBL12813248 0.70 DHFR (0.64) ADORA1ADORA2AGFERKMT2ADHFR
SCHEMBL27545354 0.69 L3MBTL1 (0.38) LMNAKMT2AMAPTNPSR1

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.