SCHEMBL4470192

SCHEMBL4470192

O=S(=O)(c1ccccc1)N1CC(c2cnn(CCN3CCOCC3)c2)c2cc(Br)cnc21

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 2/20 0.38
PIK3CD O00329 1/20 0.38
PIK3CB P42338 1/20 0.38
PIK3CG P48736 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
HDAC4 P56524 1/20 0.35
HTR6 P50406 1/20 0.35
L3MBTL1 Q9Y468 2/20 0.34
TSHR P16473 1/20 0.34
MTOR P42345 1/20 0.34
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 2/20 0.33
CYP11B2 P19099 1/20 0.33
HPGD P15428 1/20 0.33
SLC6A4 P31645 1/20 0.33
HRH3 Q9Y5N1 1/20 0.33
NPC1 O15118 1/20 0.32
GAA P10253 1/20 0.32
HTT P42858 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
SCHEMBL4465921 0.87 PIK3CA (0.37) PIK3CAPIK3CDPIK3CBPIK3CGMEN1
SCHEMBL13539026 0.86 PIK3CA (0.36) PIK3CAPIK3CDPIK3CBPIK3CGMEN1
SCHEMBL4457073 0.83 HDAC3 (0.35) KMT2AHDAC4HTR6L3MBTL1ALDH1A1
SCHEMBL2753819 0.71 PIK3CD (0.48) PIK3CAPIK3CDPIK3CBPIK3CGMEN1
SCHEMBL13199676 0.71 L3MBTL1 (0.41) KMT2AHTR6L3MBTL1TSHRALDH1A1
SCHEMBL4453845 0.69 PDPK1 (0.33) HDAC4
SCHEMBL4457148 0.65 KDM4E (0.36) HTR6KDM4EHRH3
SCHEMBL13539095 0.65 SMN1; SMN2 (0.33) MEN1KMT2AALDH1A1HTTSMN1; SMN2
SCHEMBL13505532 0.65 HTR6 (0.37) MEN1KMT2AHTR6TSHRKDM4E
SCHEMBL13166802 0.63 KMT2A (0.41) KMT2ATSHRKDM4EALDH1A1CYP11B2

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-8178552-B2 7-Azaindole derivatives and their use in the inhibition of c-Jun N-terminal kinase EISAI R&D MANAGEMENT CO., LTD. (JP) 2012-05-15 US disclosed
US-20100069354-A1 7-AZAINDOLE DERIVATIVES AND THEIR USE IN THE INHIBITION OF C-JUN N-TERMINAL KINASE EISAI R&D MANAGEMENT CO., LTD. (JP) 2010-03-18 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-20100069354-A1 7-AZAINDOLE DERIVATIVES AND THEIR USE IN THE INHIBITION OF C-JUN N-TERMINAL KINASE MAPK7, MAPK13, MAPKAPK5 PIK3CA 2348/4885PIK3CD 1260/4885PIK3CB 1827/4885

“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.