SCHEMBL6442907

SCHEMBL6442907

CC(c1ccccn1)[S+]([O-])c1nc2cc(C#N)ccc2[nH]1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
METAP2 P50579 1/20 0.41
METAP1 P53582 1/20 0.41
MAPK10 P53779 4/20 0.35
CYP19A1 P11511 2/20 0.33
ITK Q08881 1/20 0.33
ADORA2A P29274 1/20 0.33
PKN1 Q16512 1/20 0.32
PKN2 Q16513 1/20 0.32
ADORA2B P29275 1/20 0.32
CSNK1A1 P48729 3/20 0.31
CSNK1D P48730 3/20 0.31
GSK3B P49841 3/20 0.31
CSNK1G2 P78368 3/20 0.31
CXCR4 P61073 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
CHEK2 O96017 1/20 0.31
CHUK O15111 1/20 0.30
GUSB P08236 1/20 0.30

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
SCHEMBL10620031 0.91 METAP2 (0.52) METAP2METAP1PKN1PKN2CSNK1A1
SCHEMBL6461676 0.87 METAP2 (0.40) METAP2METAP1MAPK10CYP19A1ITK
SCHEMBL6872828 0.84 CBFB (0.39) METAP2METAP1ITKCXCR4MEN1
SCHEMBL6883125 0.82 CXCR4 (0.42) METAP2METAP1CXCR4MEN1KMT2A
SCHEMBL10616882 0.81 CXCR4 (0.33) METAP2METAP1CXCR4MEN1KMT2A
SCHEMBL6440091 0.81 CBFB (0.49) METAP2METAP1MAPK10MEN1KMT2A
SCHEMBL10617516 0.80 CBFB (0.41) METAP2
SCHEMBL10616962 0.79 METAP2 (0.50) METAP2METAP1PKN1PKN2CSNK1A1
SCHEMBL11372223 0.77 CBFB (0.33) METAP2METAP1MEN1KMT2AGUSB
SCHEMBL10616888 0.75 CBFB (0.40) METAP2METAP1CXCR4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0045200-B1 BENZIMIDAZOLES AND THEIR PHARMACEUTICAL USE THE UPJOHN COMPANY (US) 1988-03-02 EP claimed
US-4359465-A HETEROCYCLIC ALKYLSULFINYL BENZIMIDAZOLES THE UPJOHN COMPANY (US) 1982-11-16 US claimed
EP-0045200-A1 Benzimidazoles and their pharmaceutical use THE UPJOHN COMPANY (US) 1982-02-03 EP claimed
US-4045563-A Substituted 2-[pyridylalkylenesulfinyl]-benzimidazoles with gastric acid secretion inhibiting effects AB HASSLE (SW) 1977-08-30 US claimed
US-20140328861-A1 Combination of CRTH2 Antagonist and a Proton Pump Inhibitor for the Treatment of Eosinophilic Esophagitis ATOPIX THERAPEUTICS LTD (GB) 2014-11-06 US disclosed
EP-2790696-A1 COMBINATION OF CRTH2 ANTAGONIST AND A PROTON PUMP INHIBITOR FOR THE TREATMENT OF EOSINOPHILIC ESOPHAGITIS Atopix Therapeutics Limited (GB) 2014-10-22 EP disclosed
WO-2013088109-A1 COMBINATION OF CRTH2 ANTAGONIST AND A PROTON PUMP INHIBITOR FOR THE TREATMENT OF EOSINOPHILIC ESOPHAGITIS OXAGEN LIMITED (GB) 2013-06-20 WO disclosed
EP-1572098-A2 METHOD OF TREATING SNORING AND OTHER OBSTRUCTIVE BREATHING DISORDERS Sohn, Stearns & Stern (US) 2005-09-14 EP disclosed
US-20040258621-A1 Method of treating snoring and other obstructive breathing disorders SOHNSTEARNS & STERN 2004-12-23 US disclosed
WO-2004034973-A2 METHOD OF TREATING SNORING AND OTHER OBSTRUCTIVE BREATHING DISORDERS STERN WARREN (US) 2004-04-29 WO disclosed
EP-0045200-B1 BENZIMIDAZOLES AND THEIR PHARMACEUTICAL USE THE UPJOHN COMPANY (US) 1988-03-02 EP disclosed
US-4359465-A HETEROCYCLIC ALKYLSULFINYL BENZIMIDAZOLES THE UPJOHN COMPANY (US) 1982-11-16 US disclosed
EP-0045200-A1 Benzimidazoles and their pharmaceutical use THE UPJOHN COMPANY (US) 1982-02-03 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-20040258621-A1 Method of treating snoring and other obstructive breathing disorders HRH2, HRH1, HRH4 METAP2 1609/4885METAP1 2557/4885MAPK10 3630/4885
US-20140328861-A1 Combination of CRTH2 Antagonist and a Proton Pump Inhibitor for the Treatment of Eosinophilic Esophagitis HRH2, HRH1, HRH4 METAP2 127/4885METAP1 359/4885MAPK10 946/4885

“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.