SCHEMBL23988670

SCHEMBL23988670

CC(C)c1cccc(S(=O)(=O)NC2CCCN(C(C)O)C2)c1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 8/20 0.46
HTR7 P34969 8/20 0.46
LMNA P02545 3/20 0.45
ALDH1A1 P00352 3/20 0.45
KMT2A Q03164 1/20 0.45
UCHL1 P09936 3/20 0.44
USP30 Q70CQ3 3/20 0.44
DRD2 P14416 3/20 0.42
HTR6 P50406 3/20 0.42
ADRA1D P25100 2/20 0.42
HTR2A P28223 2/20 0.42
ADRA1A P35348 2/20 0.42
ADRA1B P35368 2/20 0.42
CTSK P43235 5/20 0.42
CTSL P07711 3/20 0.42
CTSB P07858 4/20 0.41
CTSS P25774 3/20 0.41
CTSC P53634 3/20 0.41
TP53 P04637 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
SCHEMBL20885013 0.83 KMT2A (0.49) HTR1AHTR7LMNAALDH1A1KMT2A
SCHEMBL14349658 0.82 ALDH1A1 (0.56) HTR1AHTR7LMNAALDH1A1KMT2A
SCHEMBL104506 0.79 ALDH1A1 (0.58) HTR1AHTR7LMNAALDH1A1KMT2A
SCHEMBL26723906 0.76 UCHL1 (0.53) HTR1AHTR7ALDH1A1UCHL1USP30
SCHEMBL20885021 0.75 LMNA (0.49) HTR1AHTR7LMNAALDH1A1KMT2A
SCHEMBL13400105 0.71 ALDH1A1 (0.56) LMNAALDH1A1KMT2A
SCHEMBL26727091 0.70 HTR1A (0.49) HTR1AHTR7LMNAALDH1A1DRD2
SCHEMBL1710760 0.69 ALDH1A1 (0.56) LMNAALDH1A1KMT2A
SCHEMBL1722336 0.69 ALDH1A1 (0.53) LMNAALDH1A1KMT2A
SCHEMBL20885018 0.68 BCL9 (0.51) LMNAALDH1A1

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-11155556-B2 Pyrimido-diazepinone kinase scaffold compounds and methods for treating PI3K-mediated disorders DANA-FARBER CANCER INSTITUTE, INC. (US) 2021-10-26 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-11155556-B2 Pyrimido-diazepinone kinase scaffold compounds and methods for treating PI3K-mediated disorders PI4KA, PIK3CA, PI4KB HTR1A 1537/4885HTR7 1658/4885LMNA 2983/4885

“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.