SCHEMBL4049110

SCHEMBL4049110

Cn1cc(C(C)(C)C)cc(C(N)=O)c1=O

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 3/20 0.39
BRD9 Q9H8M2 1/20 0.39
L3MBTL1 Q9Y468 2/20 0.38
MAP2K1 Q02750 6/20 0.36
MAPK1 P28482 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.35
ADRA1D P25100 1/20 0.34
MAP2K2 P36507 5/20 0.33
KDM4E B2RXH2 2/20 0.33
CNR2 P34972 1/20 0.33
MEN1 O00255 1/20 0.33
RAB9A P51151 1/20 0.33
KMT2A Q03164 1/20 0.33

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
SCHEMBL20668712 0.77 CDK8 (0.47) BRD4L3MBTL1SMN1; SMN2KDM4E
SCHEMBL18584635 0.77 BRD4 (0.49) BRD4BRD9L3MBTL1MAP2K1MAPK1
SCHEMBL18584991 0.75 MAP2K1 (0.46) BRD4BRD9L3MBTL1MAP2K1MAPK1
Hydrochloric Acid SCHEMBL18584529 0.75 BRD4 (0.47) BRD4BRD9L3MBTL1MAP2K1MAPK1
SCHEMBL4049112 0.74 AURKA (0.46) BRD4MEN1KMT2A
SCHEMBL14213217 0.74 BRD4 (0.38) BRD4BRD9L3MBTL1MAP2K1ADRA1D
SCHEMBL29092189 0.74 BRD4 (0.43) BRD4BRD9L3MBTL1MAP2K1MAPK1
SCHEMBL12157418 0.74 BRD4 (0.48) BRD4BRD9
SCHEMBL13688726 0.72 GABBR2 (0.32) BRD4SMN1; SMN2KDM4E
SCHEMBL29896541 0.71 BRD4 (0.41) BRD4BRD9L3MBTL1MAP2K1MAPK1

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 BRD4 2688/4885BRD9 2987/4885L3MBTL1 4849/4885
US-20050245536-A1 Cytokine inhibitors IL1B, TNF, IL1A BRD4 2688/4885BRD9 2987/4885L3MBTL1 4849/4885
US-20070275946-A1 Cytokine Inhibitors IL1B, TNF, IL1A BRD4 2688/4885BRD9 2987/4885L3MBTL1 4849/4885

“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.