SCHEMBL16626798

SCHEMBL16626798

Cc1ccc(Nc2cc3c(cn2)c(CN(C)C(=O)OC(C)(C)C)cn3S(=O)(=O)c2cccc(F)c2)c(Cl)c1

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TTK P33981 12/20 0.39
CDK2 P24941 5/20 0.37
AURKA O14965 4/20 0.37
CCNA2 P20248 4/20 0.35
HTR6 P50406 4/20 0.34
PDE4A P27815 1/20 0.34
PDE4B Q07343 1/20 0.34
PDE4C Q08493 1/20 0.34
PDE4D Q08499 1/20 0.34
HDAC1 Q13547 1/20 0.33
HDAC2 Q92769 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
KAT8 Q9H7Z6 1/20 0.32

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
SCHEMBL16619373 0.90 PDE4A (0.36) TTKCDK2HTR6PDE4APDE4B
SCHEMBL16626797 0.82 HTR6 (0.39) TTKHTR6PDE4APDE4BPDE4C
SCHEMBL19971348 0.82 HTR6 (0.36) HTR6PDE4APDE4BPDE4CPDE4D
Hydrochloric Acid SCHEMBL16619085 0.82 HTR6 (0.38) TTKHTR6PDE4APDE4BPDE4C
SCHEMBL16626796 0.82 HTR6 (0.39) HTR6HDAC1HDAC2HDAC6
SCHEMBL16626507 0.81 HDAC1 (0.38) HTR6HDAC1HDAC2HDAC6
SCHEMBL16626752 0.81 HTR6 (0.37) HTR6PDE4APDE4BPDE4CPDE4D
SCHEMBL16626665 0.80 HTR2C (0.35) HTR6HDAC1HDAC2HDAC6
SCHEMBL16626488 0.78 HTR6 (0.42) HTR6HDAC1HDAC2HDAC6
SCHEMBL16626800 0.77 HDAC1 (0.33) HTR6HDAC1HDAC2HDAC6KAT8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3052484-B1 SULFONYLINDOLE DERIVATIVES AND METHOD FOR PREPARING THE SAME DAE WOONG PHARMA (KR) 2018-03-21 EP disclosed
US-9676714-B2 Sulfonylindole derivatives and method for preparing the same DAEWOONG PHARMACEUTICAL CO., LTD. (KR) 2017-06-13 US disclosed
US-9676714-B2 Sulfonylindole derivatives and method for preparing the same DAEWOONG PHARMACEUTICAL CO., LTD. (KR) 2017-06-13 US disclosed
US-20160221946-A1 SULFONYLINDOLE DERIVATIVES AND METHOD FOR PREPARING THE SAME DAEWOONG PHARMACEUTICAL CO., LTD. (KR) 2016-08-04 US disclosed
US-20160221946-A1 SULFONYLINDOLE DERIVATIVES AND METHOD FOR PREPARING THE SAME DAEWOONG PHARMACEUTICAL CO., LTD. (KR) 2016-08-04 US disclosed
WO-2015050412-A1 SULFONYLINDOLE DERIVATIVES AND METHOD FOR PREPARING THE SAME DAEWOONG PHARMACEUTICAL CO., LTD. (KR) 2015-04-09 WO 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-20160221946-A1 SULFONYLINDOLE DERIVATIVES AND METHOD FOR PREPARING THE SAME GIPR, PGC, SI TTK 3829/4885CDK2 642/4885AURKA 4800/4885

“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.