Sugi Predict

Sugi Predict / Compounds / SCHEMBL202167

SCHEMBL202167

SCHEMBL202167

Nc1nc2cc(Br)ccc2c2c1nc1n2CCCO1

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ PIK3CA P42336 7/20 0.38
▸ ACHE P22303 1/20 0.37
▸ HRH4 Q9H3N8 1/20 0.37
▸ TLR7 Q9NYK1 3/20 0.37
▸ TLR8 Q9NR97 1/20 0.37
▸ PTGES O14684 1/20 0.35
▸ PIK3CD O00329 2/20 0.34
▸ PIK3CB P42338 2/20 0.34
▸ PIK3CG P48736 2/20 0.34
▸ BACE1 P56817 2/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ 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
SCHEMBL202181 0.86 TLR7 (0.41) PIK3CATLR7TLR8KMT2A
SCHEMBL205109 0.78 PIK3CA (0.39) PIK3CAACHEHRH4PTGESPIK3CD
SCHEMBL203310 0.77 PARP14 (0.40) TLR7TLR8KMT2A
SCHEMBL10123157 0.76 HRH4 (0.39) PIK3CAACHEHRH4TLR7TLR8
SCHEMBL2684172 0.76 ALDH1A1 (0.39) ACHEHRH4TLR7TLR8PTGES
SCHEMBL1233119 0.74 HRH4 (0.40) ACHEHRH4TLR7TLR8PTGES
SCHEMBL4531052 0.73 MAPT (0.35) ACHEHRH4TLR7TLR8PTGES
SCHEMBL15834998 0.73 KMT2A (0.53) PIK3CAACHEPIK3CDPIK3CBPIK3CG
SCHEMBL1233918 0.71 HRH4 (0.42) ACHEHRH4TLR7TLR8PTGES
SCHEMBL1232864 0.71 HRH4 (0.38) ACHEHRH4TLR7TLR8PTGES

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 8 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-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
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
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 PIK3CA 1007/4885ACHE 4263/4885HRH4 94/4885

“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.