SCHEMBL13100280

SCHEMBL13100280

CN(Cc1cnn(C)c1)Cc1nc(Cc2ccccc2)n(-c2ccc(S(N)(=O)=O)cc2F)n1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.39
HDAC1 Q13547 1/20 0.36
KDM4E B2RXH2 1/20 0.35
KMT2A Q03164 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
CCNT1 O60563 2/20 0.34
CCNB2 O95067 2/20 0.34
CCNE2 O96020 2/20 0.34
CDK1 P06493 2/20 0.34
CCNB1 P14635 2/20 0.34
CCNE1 P24864 2/20 0.34
CDK2 P24941 2/20 0.34
CDK9 P50750 2/20 0.34
CDK5 Q00535 2/20 0.34
CDK5R1 Q15078 2/20 0.34
CCNB3 Q8WWL7 2/20 0.34
CA1 P00915 2/20 0.34
CA2 P00918 2/20 0.34
CA5A P35218 1/20 0.34
CA7 P43166 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
SCHEMBL13099746 0.92 HTR6 (0.34) GAAHDAC1CCNT1CCNB2CCNE2
SCHEMBL13100249 0.91 CA1 (0.39) KDM4ECA1CA2CA5ACA7
SCHEMBL13100291 0.90 LMNA (0.38) GAACCNT1CCNB2CCNE2CDK1
SCHEMBL13100367 0.90 KDM4E (0.34) KDM4EKMT2AL3MBTL1CA1CA2
SCHEMBL13100269 0.86 MAPT (0.39) GAAKMT2ACA1CA2CA5A
SCHEMBL3108992 0.85 CA1 (0.37) CA1CA2CA5ACA7CA5B
SCHEMBL13100395 0.85 CA1 (0.37) CA1CA2CA5ACA7CA5B
SCHEMBL13100286 0.84 PTGS2 (0.39) CA1CA2CA5ACA7CA5B
SCHEMBL13100258 0.83 PTGS2 (0.36) CA1CA2CA5ACA7CA5B
SCHEMBL13099894 0.83 CA1 (0.36) CA1CA2CA5ACA7CA5B

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 GAA 501/4885HDAC1 176/4885KDM4E 2901/4885

“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.