SCHEMBL203808

SCHEMBL203808

CC(C)(C)OC(=O)NCCCNc1c(N)cnc2cc(Br)ccc12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
STK17B O94768 1/20 0.44
STK17A Q9UEE5 1/20 0.44
CA1 P00915 6/20 0.41
CA2 P00918 6/20 0.41
CA12 O43570 5/20 0.41
CA9 Q16790 5/20 0.41
AAK1 Q2M2I8 1/20 0.41
BRD4 O60885 4/20 0.40
CYP1A1 P04798 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2B6 P20813 1/20 0.39
CYP2C19 P33261 1/20 0.39
CYP3A43 Q9HB55 1/20 0.39
DYRK1A Q13627 1/20 0.39
FPR3 P25089 1/20 0.38
FPR2 P25090 1/20 0.38
LATS1 O95835 1/20 0.38
BCHE P06276 2/20 0.38
ACHE P22303 2/20 0.38
MAPK1 P28482 1/20 0.38

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
SCHEMBL1230928 0.94 LATS1 (0.43) STK17BSTK17ACA1CA2CA12
SCHEMBL16748324 0.86 MAPK1 (0.48) CA1CA2CA12CA9AAK1
SCHEMBL1232778 0.85 STK17B (0.47) STK17BSTK17ACA1CA2CA12
SCHEMBL203530 0.85 STK17B (0.42) STK17BSTK17ACA1CA2CA12
SCHEMBL5319030 0.84 MAPK1 (0.40) CYP2D6BCHEACHEMAPK1EGFR
SCHEMBL29475728 0.83 BRD4 (0.47) STK17BSTK17ACA1CA2CA12
SCHEMBL30503514 0.83 BRD4 (0.47) STK17BSTK17ACA1CA2CA12
SCHEMBL1034070 0.83 BRD4 (0.47) STK17BSTK17ACA1CA2CA12
Hydrochloric Acid SCHEMBL8140313 0.82 BRD4 (0.46) STK17BSTK17ACA1CA2CA12
SCHEMBL1233009 0.82 HDAC1 (0.43) STK17BSTK17ACA1CA2CA12

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 7 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-7888349-B2 Piperazine, [1,4]Diazepane, [1,4]Diazocane, and [1,5]Diazocane fused imidazo ring compounds 3M INNOVATIVE PROPERTIES COMPANY (US) 2011-02-15 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
US-20070167476-A1 Piperazine, [1,4]Diazepane, [1,4]Diazocane, and [1,5]Diazocane fused imidazo ring compounds 3M INNOVATIVE PROPERTIES COMPANY 2007-07-19 US disclosed
EP-1699792-A1 PIPERAZINE, 1,4¨DIAZEPANE, 1,4¨DIAZOCANE, AND 1,5¨DIAZOCANE FUSED IMIDAZO RING COMPOUNDS 3M Innovative Properties Company (US) 2006-09-13 EP disclosed
WO-2005066172-A1 PIPERAZINE, [1,4]DIAZEPANE, [1,4]DIAZOCANE, AND [1,5]DIAZOCANE FUSED IMIDAZO RING COMPOUNDS 3M INNOVATIVE PROPERTIES COMPANY (US) 2005-07-21 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 (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-20070167476-A1 Piperazine, [1,4]Diazepane, [1,4]Diazocane, and [1,5]Diazocane fused imidazo ring compounds IL4, IL2, IL5 STK17B 2414/4885STK17A 1371/4885CA1 1092/4885
US-20090221551-A1 SUBSTITUTED FUSED[1,2] IMIDAZO[4,5C] RING COMPOUNDS AND METHODS IL2, IFNG, IL4 STK17B 3985/4885STK17A 2780/4885CA1 2581/4885

“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.