SCHEMBL4048366

SCHEMBL4048366

CC(C)(C)c1c[nH]c(=O)c(C(N)=O)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.39
DYRK1A Q13627 1/20 0.37
ALDH1A1 P00352 3/20 0.36
ATM Q13315 1/20 0.36
KIT P10721 1/20 0.35
SRC P12931 1/20 0.35
FLT3 P36888 1/20 0.35
ITK Q08881 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.33
HSP90AA1 P07900 2/20 0.33
DHODH Q02127 1/20 0.33
CFTR P13569 1/20 0.33
NPC1 O15118 1/20 0.33
PKM P14618 1/20 0.33
RAB9A P51151 1/20 0.33
DAO P14920 1/20 0.32
LRRK2 Q5S007 1/20 0.32
PARP1 P09874 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
TNIK Q9UKE5 1/20 0.31

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
SCHEMBL29537282 0.82 KMT2A (0.43) DYRK1AALDH1A1ATMSMN1; SMN2DAO
SCHEMBL27955921 0.77 DYRK1A (0.37) DYRK1AALDH1A1ATMSMN1; SMN2PARP1
SCHEMBL16918372 0.76 DAO (0.53) L3MBTL1DYRK1AALDH1A1ATMDHODH
SCHEMBL4048370 0.73 AURKB (0.44) ALDH1A1KITSRCFLT3ITK
SCHEMBL18696150 0.73 CDC7 (0.43) L3MBTL1DYRK1AALDH1A1ATMSMN1; SMN2
SCHEMBL13452295 0.72 DAO (0.39) L3MBTL1ALDH1A1KITSRCFLT3
SCHEMBL5190778 0.72 ERCC1 (0.53) DYRK1AALDH1A1ATMPARP1MEN1
SCHEMBL21086635 0.72 DYRK1A (0.40) DYRK1AALDH1A1ATMDAOPARP1
SCHEMBL2054689 0.71 PKM (0.34) L3MBTL1ALDH1A1KITSRCFLT3
SCHEMBL30647261 0.70 NOTUM (0.48) DYRK1AALDH1A1ATMSMN1; SMN2DHODH

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-1867646-A1 Cytokine inhibitors Boehringer Ingelheim Pharmaceuticals, Inc. (US) 2007-12-19 EP claimed
US-7285545-B2 N-Pyridyl-7-substituted-2-indolecarboxamides, e.g., 1-Methyl-7-[2-(4-methyl-piperazin-1-yl)-pyrimidin-4-yloxy]-1H-indole-2-carboxylic acid (2-tert-butyl-5-methoxy-pyridin-4-yl)-amide; used to treat chronic inflammatory diseases BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2007-10-23 US claimed
EP-1745036-A2 CYTOKINE INHIBITORS BOEHRINGER INGELHEIM PHARMACEUTICALS INC. (US) 2007-01-24 EP claimed
WO-2005108387-A2 CYTOKINE INHIBITORS BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2005-11-17 WO claimed
US-20050245536-A1 Cytokine inhibitors BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2005-11-03 US claimed
US-7592332-B2 Cytokine inhibitors BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2009-09-22 US disclosed
US-20090023701-A1 Cytokine Inhibitors AUNGST RONALD A 2009-01-22 US disclosed
EP-1867646-A1 Cytokine inhibitors Boehringer Ingelheim Pharmaceuticals, Inc. (US) 2007-12-19 EP disclosed
US-20070275946-A1 Cytokine Inhibitors AUNGST RONALD A 2007-11-29 US disclosed
US-7285545-B2 N-Pyridyl-7-substituted-2-indolecarboxamides, e.g., 1-Methyl-7-[2-(4-methyl-piperazin-1-yl)-pyrimidin-4-yloxy]-1H-indole-2-carboxylic acid (2-tert-butyl-5-methoxy-pyridin-4-yl)-amide; used to treat chronic inflammatory diseases BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2007-10-23 US disclosed
EP-1745036-A2 CYTOKINE INHIBITORS BOEHRINGER INGELHEIM PHARMACEUTICALS INC. (US) 2007-01-24 EP disclosed
WO-2005108387-A2 CYTOKINE INHIBITORS BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2005-11-17 WO disclosed
US-20050245536-A1 Cytokine inhibitors BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2005-11-03 US 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-20090023701-A1 Cytokine Inhibitors IL1B, TNF, IL1A L3MBTL1 4849/4885DYRK1A 4814/4885ALDH1A1 297/4885
US-20050245536-A1 Cytokine inhibitors IL1B, TNF, IL1A L3MBTL1 4849/4885DYRK1A 4814/4885ALDH1A1 297/4885
US-20070275946-A1 Cytokine Inhibitors IL1B, TNF, IL1A L3MBTL1 4849/4885DYRK1A 4814/4885ALDH1A1 297/4885

“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.