SCHEMBL2684172

SCHEMBL2684172

Nc1nc2cc(Br)ccc2c2c1nc1n2CCCN1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.39
KDM4E B2RXH2 3/20 0.39
POLB P06746 1/20 0.39
PTGES O14684 1/20 0.38
ACHE P22303 1/20 0.37
HRH4 Q9H3N8 2/20 0.37
TLR8 Q9NR97 1/20 0.37
TLR7 Q9NYK1 1/20 0.37
HPGD P15428 2/20 0.36
HSD17B10 Q99714 2/20 0.36
MAPK10 P53779 1/20 0.36
BACE1 P56817 2/20 0.33
PDPK1 O15530 1/20 0.32
JAK2 O60674 1/20 0.32
NCF1 P14598 1/20 0.31
HTT P42858 2/20 0.30
TGFBR1 P36897 1/20 0.30
NPC1 O15118 1/20 0.30
MAPT P10636 1/20 0.30
RAB9A P51151 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
Trifluoroacetic Acid SCHEMBL203340 0.90 KDM4E (0.37) ALDH1A1KDM4EPOLBPTGESACHE
SCHEMBL203999 0.83 KDM4E (0.58) ALDH1A1KDM4EPOLBTLR8TLR7
SCHEMBL1233119 0.81 HRH4 (0.40) PTGESACHEHRH4TLR8TLR7
SCHEMBL1233918 0.76 HRH4 (0.42) PTGESACHEHRH4TLR8TLR7
SCHEMBL202167 0.76 PIK3CA (0.38) PTGESACHEHRH4TLR8TLR7
SCHEMBL4531052 0.73 MAPT (0.35) ALDH1A1KDM4EPOLBPTGESACHE
SCHEMBL6921129 0.73 ALDH1A1 (0.67) ALDH1A1KDM4EPOLBACHEHPGD
SCHEMBL10123157 0.71 HRH4 (0.39) ALDH1A1POLBPTGESACHEHRH4
SCHEMBL1232864 0.71 HRH4 (0.38) ALDH1A1KDM4EPOLBPTGESACHE
SCHEMBL25428816 0.69 ALDH1A1 (0.67) ALDH1A1KDM4EPOLBHPGDHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8088788-B2 Substituted fused[1,2] imidazo[4,5-c] ring compounds and methods 3M INNOVATIVE PROPERTIES COMPANY (US) 2012-01-03 US disclosed
US-8088788-B2 Substituted fused[1,2] imidazo[4,5-c] ring compounds and methods 3M INNOVATIVE PROPERTIES COMPANY (US) 2012-01-03 US disclosed
US-20090221551-A1 SUBSTITUTED FUSED[1,2] IMIDAZO[4,5C] RING COMPOUNDS AND METHODS PFIZER INC. 2009-09-03 US disclosed
US-20090221551-A1 SUBSTITUTED FUSED[1,2] IMIDAZO[4,5C] RING COMPOUNDS AND METHODS PFIZER INC. 2009-09-03 US disclosed
WO-2007106852-A2 SUBSTITUTED FUSED[1,2]IMIDAZO[4,5-C] RING COMPOUNDS AND METHODS COLEY PHARMACEUTICAL GROUP, INC. (US) 2007-09-20 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-20090221551-A1 SUBSTITUTED FUSED[1,2] IMIDAZO[4,5C] RING COMPOUNDS AND METHODS IL2, IFNG, IL4 ALDH1A1 979/4885KDM4E 2419/4885POLB 1440/4885

“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.