SCHEMBL3348969

SCHEMBL3348969

O=S(=O)(c1ccccc1)n1cc(I)c2cc(Sc3ccccc3)cnc21

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 5/20 0.55
HTR6 P50406 9/20 0.36
MET P08581 1/20 0.36
CYP2C19 P33261 1/20 0.36
MMP8 P22894 2/20 0.34
ALDH1A1 P00352 1/20 0.34
MAPT P10636 1/20 0.34
HTR1A P08908 1/20 0.34
DRD2 P14416 1/20 0.34
HTR2A P28223 1/20 0.34
HTR7 P34969 1/20 0.34
MMP3 P08254 1/20 0.34
CCNE1 P24864 1/20 0.32
CDK2 P24941 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
SCHEMBL3355084 0.81 BRD4 (0.52) BRD4HTR6METCYP2C19ALDH1A1
SCHEMBL1773252 0.81 BRD4 (0.58) BRD4HTR6METCYP2C19HTR1A
SCHEMBL1266871 0.81 BRD4 (0.58) BRD4HTR6METCYP2C19ALDH1A1
SCHEMBL1887325 0.81 BRD4 (0.58) BRD4HTR6METCYP2C19HTR1A
SCHEMBL1043519 0.81 BRD4 (0.58) BRD4HTR6METCYP2C19MAPT
SCHEMBL1799967 0.81 BRD4 (0.67) BRD4HTR6METCYP2C19
SCHEMBL1050312 0.81 BRD4 (0.64) BRD4HTR6METCYP2C19
SCHEMBL13505038 0.78 PDPK1 (0.45) BRD4HTR6CDK2
SCHEMBL3348822 0.78 HTR6 (0.40) BRD4HTR6HTR1ADRD2HTR2A
SCHEMBL1268099 0.78 BRD4 (0.58) BRD4HTR6HTR1ADRD2HTR2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1749829-B1 JNK inhibitors EISAI R&D MAN CO LTD (JP) 2010-11-03 EP disclosed
EP-1749829-B1 JNK inhibitors EISAI R&D MAN CO LTD (JP) 2010-11-03 EP disclosed
US-20100035878-A1 INHIBITORS OF C-JUN N-TERMINAL KINASES FOR THE TREATMENT OF NEURODEGENERATIVE DISORDERS RELATING TO APOPTOSIS AND/OR INFLAMMATION EISAI R & D MANAGEMENT CO., LTD. (JP) 2010-02-11 US disclosed
US-20100035878-A1 INHIBITORS OF C-JUN N-TERMINAL KINASES FOR THE TREATMENT OF NEURODEGENERATIVE DISORDERS RELATING TO APOPTOSIS AND/OR INFLAMMATION EISAI R & D MANAGEMENT CO., LTD. (JP) 2010-02-11 US disclosed
US-7645769-B2 Inhibitors of c-Jun N-terminal kinases for the treatment of neurodegenerative disorders relating to apoptosis and/or inflammation EISAI R & D MANAGEMENT CO., LTD. (JP) 2010-01-12 US disclosed
US-7645769-B2 Inhibitors of c-Jun N-terminal kinases for the treatment of neurodegenerative disorders relating to apoptosis and/or inflammation EISAI R & D MANAGEMENT CO., LTD. (JP) 2010-01-12 US disclosed
US-7645769-B2 Inhibitors of c-Jun N-terminal kinases for the treatment of neurodegenerative disorders relating to apoptosis and/or inflammation EISAI R & D MANAGEMENT CO., LTD. (JP) 2010-01-12 US disclosed
US-20070072896-A1 Inhibitors of c-Jun N-terminal kinases for the treatment of neurodegenerative disorders relating to apoptosis and/or inflammation EISAI CO., LTD. (JP) 2007-03-29 US disclosed
US-20070072896-A1 Inhibitors of c-Jun N-terminal kinases for the treatment of neurodegenerative disorders relating to apoptosis and/or inflammation EISAI CO., LTD. (JP) 2007-03-29 US disclosed
US-20070072896-A1 Inhibitors of c-Jun N-terminal kinases for the treatment of neurodegenerative disorders relating to apoptosis and/or inflammation EISAI CO., LTD. (JP) 2007-03-29 US disclosed
EP-1749829-A1 JNK inhibitors Eisai London Research Laboratories Limited (GB) 2007-02-07 EP disclosed
EP-1749829-A1 JNK inhibitors Eisai London Research Laboratories Limited (GB) 2007-02-07 EP 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 (2 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-20100035878-A1 INHIBITORS OF C-JUN N-TERMINAL KINASES FOR THE TREATMENT OF NEURODEGENERATIVE DISORDERS RELATING TO APOPTOSIS AND/OR INFLAMMATION NFKBIA, CHUK, MAP3K1 BRD4 1290/4885HTR6 1614/4885MET 2703/4885
US-20070072896-A1 Inhibitors of c-Jun N-terminal kinases for the treatment of neurodegenerative disorders relating to apoptosis and/or inflammation NFKBIA, CHUK, MAP3K1 BRD4 1290/4885HTR6 1614/4885MET 2703/4885

“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.