SCHEMBL4901848

SCHEMBL4901848

NCS(=O)(=O)NCc1ccccc1

nearest known ligand 0.64

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CA2 P00918 5/20 0.64
CA12 O43570 5/20 0.64
CA1 P00915 4/20 0.64
CA7 P43166 2/20 0.64
CA14 Q9ULX7 2/20 0.64
KEAP1 Q14145 1/20 0.57
ALDH1A1 P00352 1/20 0.56
CA9 Q16790 3/20 0.49
POLB P06746 1/20 0.49
CYP1A2 P05177 1/20 0.49
CYP3A4 P08684 1/20 0.49
ATM Q13315 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
LMNA P02545 1/20 0.47
KMT2A Q03164 1/20 0.47
HTT P42858 1/20 0.47
IDO1 P14902 1/20 0.46
NSD2 O96028 1/20 0.46

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
SCHEMBL4411027 0.84 CA12 (0.60) CA2CA12CA1CA7CA14
SCHEMBL813026 0.83 CA2 (0.68) CA2CA12CA1CA7CA14
SCHEMBL6534021 0.83 CA12 (0.68) CA2CA12CA1CA7CA14
SCHEMBL16477917 0.83 CA12 (0.68) CA2CA12CA1CA7CA14
Hydrochloric Acid SCHEMBL23855474 0.82 CA2 (0.58) CA2CA12CA1CA7CA14
SCHEMBL2112943 0.81 CA2 (0.65) CA2CA12CA1CA7CA14
SCHEMBL5287971 0.79 CA12 (0.63) CA2CA12CA1CA7CA14
SCHEMBL393081 0.79 CA2 (0.63) CA2CA12CA1CA7CA14
SCHEMBL49549 0.78 CA2 (1.00) CA2CA12CA1CA7CA14
SCHEMBL13770963 0.78 CA2 (0.53) CA2CA12CA1CA7CA14

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 CA2 4618/4885CA12 4761/4885CA1 4855/4885

“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.