SCHEMBL2274807

SCHEMBL2274807

O=S(=O)(c1ccccc1)n1cc(I)c2cc(-c3ccccc3)nnc21

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.50
HTR6 P50406 7/20 0.42
ATP4A P20648 2/20 0.37
ATP4B P51164 2/20 0.37
MAPT P10636 3/20 0.35
SMN1; SMN2 Q16637 3/20 0.35
NPC1 O15118 1/20 0.35
PKM P14618 1/20 0.35
MAOB P27338 1/20 0.35
AGTR1 P30556 1/20 0.35
RAB9A P51151 1/20 0.35
MET P08581 1/20 0.35
CYP2C19 P33261 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
ELAVL1 Q15717 1/20 0.35
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
ALDH1A1 P00352 1/20 0.34
ALOX12 P18054 1/20 0.34
LMNA P02545 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
SCHEMBL24722820 0.83 BRD4 (0.48) BRD4HTR6SMN1; SMN2METCYP2C19
SCHEMBL1799967 0.79 BRD4 (0.67) BRD4HTR6METCYP2C19
SCHEMBL7934134 0.77 HTR6 (0.43) BRD4HTR6L3MBTL1ELAVL1CA12
SCHEMBL2280274 0.77 BRD4 (0.45) BRD4HTR6L3MBTL1CA12CA1
SCHEMBL1773252 0.74 BRD4 (0.58) BRD4HTR6METCYP2C19
SCHEMBL1050312 0.74 BRD4 (0.64) BRD4HTR6ATP4AATP4BSMN1; SMN2
SCHEMBL1887325 0.74 BRD4 (0.58) BRD4HTR6PKMMETCYP2C19
SCHEMBL1043519 0.74 BRD4 (0.58) BRD4HTR6MAPTSMN1; SMN2MET
SCHEMBL1266871 0.74 BRD4 (0.58) BRD4HTR6PKMMETCYP2C19
SCHEMBL1267767 0.73 CYP2C19 (0.56) BRD4HTR6SMN1; SMN2PKMMET

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110195951-A1 DIAZAINDOLE DERIVATIVES AND THEIR USE IN THE INHIBITION OF C-JUN N-TERMINAL KINASE EISAI R&D MANAGEMENT CO., LTD. (JP) 2011-08-11 US disclosed
US-20110195951-A1 DIAZAINDOLE DERIVATIVES AND THEIR USE IN THE INHIBITION OF C-JUN N-TERMINAL KINASE EISAI R&D MANAGEMENT CO., LTD. (JP) 2011-08-11 US disclosed
US-20110195951-A1 DIAZAINDOLE DERIVATIVES AND THEIR USE IN THE INHIBITION OF C-JUN N-TERMINAL KINASE EISAI R&D MANAGEMENT CO., LTD. (JP) 2011-08-11 US disclosed
WO-2010015803-A1 DIAZAINDOLE DERIVATIVES AND THEIR USE IN THE INHIBITION OF C-JUN N-TERMINAL KINASE EISAI R & D MANAGEMENT CO. LTD (JP) 2010-02-11 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-20110195951-A1 DIAZAINDOLE DERIVATIVES AND THEIR USE IN THE INHIBITION OF C-JUN N-TERMINAL KINASE DAPK1, DAPK2, DAPK3 BRD4 837/4885HTR6 3357/4885ATP4A 3203/4885

“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.