SCHEMBL4197377

SCHEMBL4197377

CCc1cc2cc(-c3cccc(F)c3)cnc2n1S(=O)(=O)c1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIN1 Q05586 8/20 0.39
GRIN2B Q13224 8/20 0.39
PLK4 O00444 2/20 0.39
PIK3C3 Q8NEB9 1/20 0.38
PDGFRB P09619 1/20 0.38
PDGFRA P16234 1/20 0.38
HTR6 P50406 2/20 0.38
HTR1A P08908 1/20 0.38
DRD2 P14416 1/20 0.38
HTR7 P34969 1/20 0.38
USP2 O75604 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C9 P11712 1/20 0.36
TSHR P16473 1/20 0.36
CYP2C19 P33261 1/20 0.36
HSD17B10 Q99714 1/20 0.36
PIK3CG P48736 1/20 0.36
KAT6A Q92794 1/20 0.35
PTGS2 P35354 1/20 0.35

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
SCHEMBL23246934 0.80 PIK3C3 (0.41) PIK3C3HTR6TSHRCYP2C19PTGDR2
SCHEMBL30280436 0.79 ENPP3 (0.44) PIK3C3TSHRCYP2C19PTGDR2
SCHEMBL25153267 0.79 ENPP3 (0.44) PIK3C3TSHRCYP2C19PTGDR2
SCHEMBL13854447 0.77 PDGFRB (0.44) GRIN1GRIN2BPDGFRBPDGFRAUSP2
SCHEMBL4202634 0.76 CYP2C19 (0.53) GRIN1GRIN2BPLK4HTR6HTR1A
SCHEMBL1771967 0.76 KMT2A (0.44) PIK3C3CYP1A2CYP3A4CYP2C19PTGDR2
SCHEMBL1773229 0.75 CYP2C19 (0.51) PIK3C3HTR6CYP1A2CYP3A4TSHR
SCHEMBL2043071 0.72 PPARG (0.38) HTR6TSHRPTGDRPTGDR2
SCHEMBL13854132 0.72 PDGFRB (0.38) GRIN1GRIN2BPDGFRBPDGFRACSNK1D
SCHEMBL1778953 0.68 NR1H2 (0.43) HSD17B10PTGDR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7534800-B2 7-azaindoles as inhibitors of c-Jun N-terminal kinases for the treatment of neurodegenerative disorders EISAI R & D DEVELOPMENT CO., LTD. (JP) 2009-05-19 US disclosed
US-7534800-B2 7-azaindoles as inhibitors of c-Jun N-terminal kinases for the treatment of neurodegenerative disorders EISAI R & D DEVELOPMENT CO., LTD. (JP) 2009-05-19 US disclosed
EP-1490364-B1 7-AZAINDOLES AS INHIBITORS OF C-JUN N-TERMINAL KINASES FOR THE TREATMENT OF NEURODEGENERATIVE DISORDERS EISAI R&D MAN CO LTD (JP) 2007-09-26 EP disclosed
US-20050272761-A1 7-azaindoles as inhibitors of c-jun n-terminal kinases for the treatment of neurodegenerative disorders EISAI CO., LTD. (JP) 2005-12-08 US disclosed
EP-1490364-A1 7-AZAINDOLES AS INHIBITORS OF C-JUN N-TERMINAL KINASES FOR THE TREATMENT OF NEURODEGENERATIVE DISORDERS Eisai Co., Ltd. (JP) 2004-12-29 EP disclosed
WO-2003082868-A1 7-AZAINDOLES AS INHIBITORS OF C-JUN N-TERMINAL KINASES FOR THE TREATMENT OF NEURODEGENERATIVE DISORDERS EISAI CO., LTD. (JP) 2003-10-09 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-20050272761-A1 7-azaindoles as inhibitors of c-jun n-terminal kinases for the treatment of neurodegenerative disorders API5, MAPKAPK5, MAP3K5 GRIN1 568/4885GRIN2B 901/4885PLK4 1126/4885

“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.