SCHEMBL12450255

SCHEMBL12450255

Cc1cc(N)c2cnn(S(=O)(=O)c3ccccc3)c2c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 4/20 0.45
MAPT P10636 4/20 0.40
KMT2A Q03164 4/20 0.39
MEN1 O00255 3/20 0.39
HTT P42858 1/20 0.39
SLC9A1 P19634 2/20 0.38
GAA P10253 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
ALDH1A1 P00352 1/20 0.38
NOD1 Q9Y239 3/20 0.37
NOD2 Q9HC29 2/20 0.37
CXCL8 P10145 2/20 0.37
NR1H2 P55055 1/20 0.36
NR1H3 Q13133 1/20 0.36
HDAC3 O15379 2/20 0.36
HDAC4 P56524 2/20 0.36
HDAC1 Q13547 2/20 0.36
HDAC7 Q8WUI4 2/20 0.36
HDAC2 Q92769 2/20 0.36
HDAC10 Q969S8 2/20 0.36

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
SCHEMBL459216 0.84 MEN1 (0.46) HTR6MAPTKMT2AMEN1HTT
SCHEMBL458467 0.83 HTR6 (0.43) HTR6MAPTKMT2AMEN1HTT
SCHEMBL12970761 0.80 HTR6 (0.59) HTR6MAPTKMT2AMEN1HTT
SCHEMBL1118681 0.79 MAPT (0.47) MAPTKMT2AMEN1SLC9A1GAA
SCHEMBL470192 0.78 NR1H2 (0.41) HTR6MAPTKMT2AMEN1HTT
SCHEMBL14665921 0.76 HTR6 (0.45) HTR6MAPTKMT2AMEN1HTT
SCHEMBL1958201 0.75 PIK3CG (0.48) HTR6
SCHEMBL1959668 0.75 HTR6 (0.36) HTR6MAPTKMT2AMEN1HTT
SCHEMBL10280415 0.75 PIK3C3 (0.41) HTR6MAPTKMT2AMEN1HTT
SCHEMBL1431296 0.75 HTR6 (0.39) HTR6MAPTKMT2AMEN1HTT

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120238571-A1 INDAZOLE DERIVATIVES AS PI 3-KINASE GLAXO GROUP LIMITED (GB) 2012-09-20 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-20120238571-A1 INDAZOLE DERIVATIVES AS PI 3-KINASE PI4KA, PIP4K2B, PI4KB HTR6 4240/4885MAPT 1784/4885KMT2A 2938/4885

“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.