Sugi Predict

Sugi Predict / Compounds / SCHEMBL1799962

SCHEMBL1799962

SCHEMBL1799962

O=S(=O)(c1ccccc1)n1cc(I)c2cc(C3CCCCC3)cnc21

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ BRD4 O60885 6/20 0.54
▸ HTR6 P50406 7/20 0.38
▸ KMT2A Q03164 2/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ TSHR P16473 1/20 0.38
▸ NPSR1 Q6W5P4 1/20 0.38
▸ HTT P42858 2/20 0.37
▸ LMNA P02545 2/20 0.37
▸ ALDH1A1 P00352 1/20 0.36
▸ CYP3A4 P08684 1/20 0.35
▸ CYP2C19 P33261 1/20 0.35
▸ SMN1; SMN2 Q16637 2/20 0.34
▸ KDM4E B2RXH2 2/20 0.34
▸ GLA P06280 1/20 0.34
▸ HIF1A Q16665 1/20 0.34
▸ TDP1 Q9NUW8 1/20 0.34
▸ L3MBTL1 Q9Y468 1/20 0.34
▸ MAPK1 P28482 1/20 0.34
▸ HSD17B10 Q99714 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
SCHEMBL1798526 0.85 BRD4 (0.51) BRD4HTR6KMT2AMEN1HTT
SCHEMBL16374470 0.84 BRD4 (0.48) BRD4HTR6KMT2AMEN1ALDH1A1
SCHEMBL1801235 0.82 MAPK8 (0.47) BRD4HTR6ALDH1A1CYP2C19SMN1; SMN2
SCHEMBL1801233 0.82 MAPK8 (0.47) BRD4HTR6ALDH1A1CYP2C19SMN1; SMN2
SCHEMBL8182406 0.82 BRD4 (0.38) BRD4HTR6KMT2AMEN1TSHR
SCHEMBL2752042 0.81 PDPK1 (0.43) BRD4HTR6
SCHEMBL2752053 0.81 PDPK1 (0.43) BRD4HTR6
SCHEMBL8175357 0.80 KDR (0.36) BRD4HTR6KMT2AMEN1TSHR
SCHEMBL1798942 0.80 MEN1 (0.37) BRD4HTR6KMT2AMEN1TSHR
SCHEMBL16374566 0.80 ROCK2 (0.40) BRD4HTR6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7951802-B2 Use of 7-azaindoles in the inhibition of c-Jun N-terminal kinase EISAI R&D MANAGEMENT CO., LTD. (JP) 2011-05-31 — — US disclosed
US-7951802-B2 Use of 7-azaindoles in the inhibition of c-Jun N-terminal kinase EISAI R&D MANAGEMENT CO., LTD. (JP) 2011-05-31 — — US disclosed
US-7951802-B2 Use of 7-azaindoles in the inhibition of c-Jun N-terminal kinase EISAI R&D MANAGEMENT CO., LTD. (JP) 2011-05-31 — — US disclosed
US-20100069358-A1 USE OF 7-AZAINDOLES IN THE INHIBITION OF C-JUN N-TERMINAL KINASE EISAI R&D MANAGEMENT CO., LTD. (JP) 2010-03-18 — — US disclosed
US-20100069358-A1 USE OF 7-AZAINDOLES IN THE INHIBITION OF C-JUN N-TERMINAL KINASE EISAI R&D MANAGEMENT CO., LTD. (JP) 2010-03-18 — — US disclosed
US-20100069358-A1 USE OF 7-AZAINDOLES IN THE INHIBITION OF C-JUN N-TERMINAL KINASE EISAI R&D MANAGEMENT CO., LTD. (JP) 2010-03-18 — — US disclosed
WO-2008095943-A1 THE USE OF 7-AZAINDOLES IN THE INHIBITION OF C-JUN N-TERMINAL KINASE EISAI R&D MANAGEMENT CO. LTD. (JP) 2008-08-14 — — 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-20100069358-A1 USE OF 7-AZAINDOLES IN THE INHIBITION OF C-JUN N-TERMINAL KINASE MAPK7, MAPKAPK5, MAPK13 BRD4 728/4885HTR6 2021/4885KMT2A 799/4885

“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.