SCHEMBL3109959

SCHEMBL3109959

CCNC(=O)c1cc(C)n(-c2ccc(S(N)(=O)=O)cc2C(=O)NCc2ccncc2)n1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 8/20 0.49
KMT2A Q03164 2/20 0.45
MEN1 O00255 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
NAMPT P43490 4/20 0.43
CA4 P22748 6/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
TDP1 Q9NUW8 1/20 0.41
MAPK1 P28482 2/20 0.41
CA1 P00915 2/20 0.40
CA12 O43570 1/20 0.40
CA5A P35218 1/20 0.40
CA7 P43166 1/20 0.40
CA5B Q9Y2D0 1/20 0.40
ALOX15 P16050 1/20 0.40
HSD17B10 Q99714 1/20 0.40
AURKA O14965 1/20 0.40
ROCK2 O75116 1/20 0.40
CSF1R P07333 1/20 0.40
RPS6KB1 P23443 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
SCHEMBL3113061 0.92 CA4 (0.53) CA2KMT2AMEN1NPSR1CA4
SCHEMBL3114697 0.90 CA2 (0.49) CA2KMT2AMEN1NPSR1CA4
SCHEMBL13109152 0.84 CA2 (0.45) CA2KMT2AMEN1NPSR1NAMPT
SCHEMBL3102832 0.83 CA2 (0.43) CA2CA4
SCHEMBL14292740 0.82 CA4 (0.54) CA2KMT2AMEN1NPSR1CA4
SCHEMBL3098615 0.82 CA9 (0.51) CA2KMT2AMEN1CA4CA1
SCHEMBL3115632 0.81 CA9 (0.53) CA2KMT2AMEN1NPSR1CA4
SCHEMBL13100012 0.79 CA2 (0.41) CA2CA4CA1CA12
SCHEMBL3102148 0.78 PTGS2 (0.53) CA2CA4
SCHEMBL3109266 0.77 PTGS2 (0.52) CA2CA1CA12

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-20100256357-A1 HETEROCYCLES USEFUL AS INHIBITORS OF CARBONIC ANHYDRASE AGOURON PHARMACEUTICALS, INC. 2010-10-07 US disclosed
US-20100256357-A1 HETEROCYCLES USEFUL AS INHIBITORS OF CARBONIC ANHYDRASE AGOURON PHARMACEUTICALS, INC. 2010-10-07 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-20100256357-A1 HETEROCYCLES USEFUL AS INHIBITORS OF CARBONIC ANHYDRASE CA2, CA7, CA9 CA2 1/4885KMT2A 3080/4885MEN1 2036/4885

“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.