SCHEMBL2283485

SCHEMBL2283485

COc1nc(Cc2ccc(F)c(F)c2N)nc(OC)n1

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 1/20 0.32
PDCD1LG2 Q9BQ51 2/20 0.32
CD274 Q9NZQ7 2/20 0.32
CA1 P00915 2/20 0.31
CA2 P00918 2/20 0.31
CA9 Q16790 2/20 0.31
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
ADORA3 P0DMS8 1/20 0.30
ADORA2A P29274 1/20 0.30
ADORA1 P30542 1/20 0.30
HTR6 P50406 1/20 0.30
GAA P10253 1/20 0.30
MAPT P10636 1/20 0.30
TSHR P16473 1/20 0.30
MAPK1 P28482 1/20 0.30
HTT P42858 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
SCHEMBL3770981 0.87 BACE1 (0.32) BACE1PDCD1LG2CD274CA1CA2
SCHEMBL2285267 0.84 PDE2A (0.36) PDCD1LG2CD274NPC1RAB9AADORA2A
SCHEMBL2289349 0.82 HTR6 (0.38) BACE1NPC1RAB9AADORA3ADORA2A
SCHEMBL2287061 0.76 GAA (0.35) PDCD1LG2CD274CA1CA2CA9
SCHEMBL3781459 0.74 ADORA3 (0.43) NPC1RAB9AADORA3ADORA2AADORA1
SCHEMBL3777175 0.74 ATP4A (0.39) CA1CA2CA9ADORA3ADORA2A
SCHEMBL3783003 0.74 ATP4A (0.36) CA1CA2CA9ADORA3ADORA2A
SCHEMBL4217671 0.73 ADORA3 (0.35) CA1CA2CA9ADORA3ADORA2A
SCHEMBL3739891 0.73 ADORA2A (0.36) BACE1CA1CA2CA9ADORA3
SCHEMBL2286796 0.73 HTR6 (0.38) BACE1ADORA3ADORA2AADORA1HTR6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1773124-B1 A USE OF SULFONANILIDES AS AGRICULTURAL AND HORTICULTURAL FUNGICIDE BAYER CROPSCIENCE AG (DE) 2012-08-22 EP disclosed
US-8008484-B2 Use of sulfonanilides as agricultural and horticultural fungicide BAYER CROPSCIENCE AG (DE) 2011-08-30 US disclosed
US-20100323896-A1 USE OF SULFONANILIDES AS HERBICIDE BAYER CROPSCIENCE AG (DE) 2010-12-23 US disclosed
US-20090305894-A1 use of sulfonanilides as herbicide BAYER CROPSCIENCE AG (DE) 2009-12-10 US disclosed
EP-1928242-A2 A USE OF SULFONANILIDES AS HERBICIDE Bayer CropScience AG (DE) 2008-06-11 EP disclosed
US-20070219199-A1 Use of Sulfonanilides as Agricultural and Horticultural Fungicide BAYER CROPSCIENCE AG (DE) 2007-09-20 US disclosed
EP-1773124-A1 A USE OF SULFONANILIDES AS AGRICULTURAL AND HORTICULTURAL FUNGICIDE Bayer CropScience Aktiengesellschaft (DE) 2007-04-18 EP disclosed
WO-2007031208-A2 A USE OF SULFONANILIDES AS HERBICIDE BAYER CROPSCIENCE AG (DE) 2007-03-22 WO disclosed
WO-2006008159-A1 A USE OF SULFONANILIDES AS AGRICULTURAL AND HORTICULTURAL FUNGICIDE BAYER CROPSCIENCE AG (DE) 2006-01-26 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 (3 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-20100323896-A1 USE OF SULFONANILIDES AS HERBICIDE CBR3, HCAR3, HCRTR1 BACE1 3884/4885PDCD1LG2 4551/4885CD274 4396/4885
US-20070219199-A1 Use of Sulfonanilides as Agricultural and Horticultural Fungicide CBR3, CYP51A1, CBR1 BACE1 2764/4885PDCD1LG2 3713/4885CD274 3639/4885
US-20090305894-A1 use of sulfonanilides as herbicide CBR3, HCAR3, CBR1 BACE1 3915/4885PDCD1LG2 4565/4885CD274 4439/4885

“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.