SCHEMBL4049472

SCHEMBL4049472

Cc1ncc(C(C)(C)C)cc1C(N)=O

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.42
NNMT P40261 5/20 0.40
PARP1 P09874 2/20 0.37
SIRT3 Q9NTG7 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
SLC2A1 P11166 1/20 0.36
KDM4E B2RXH2 2/20 0.36
CAMK1D Q8IU85 1/20 0.35
KMT2A Q03164 2/20 0.35
LRRK2 Q5S007 1/20 0.35
PIK3CB P42338 1/20 0.35
SYK P43405 1/20 0.34

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
SCHEMBL15829260 0.82 PIK3CB (0.48) L3MBTL1NNMTKDM4ECAMK1DKMT2A
SCHEMBL17382227 0.77 PARP1 (0.53) NNMTPARP1SIRT3TDP1KDM4E
SCHEMBL30711736 0.77 PARP1 (0.53) NNMTPARP1SIRT3TDP1KDM4E
SCHEMBL9537673 0.76 LRRK2 (0.42) L3MBTL1NNMTKDM4EKMT2ALRRK2
SCHEMBL24364823 0.76 NNMT (0.43) NNMTPARP1SIRT3TDP1KDM4E
SCHEMBL28617172 0.76 LMNA (0.44) NNMTPARP1SIRT3TDP1KDM4E
SCHEMBL619707 0.74 NNMT (0.42) NNMTPARP1SIRT3TDP1KDM4E
SCHEMBL17845037 0.74 NNMT (0.42) NNMTPARP1SIRT3TDP1KDM4E
SCHEMBL2822776 0.74 NNMT (0.45) NNMTPARP1SIRT3TDP1SLC2A1
SCHEMBL12570327 0.72 POLB (0.41) KDM4E

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 14 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-20190119268-A1 HETEROCYCLIC COMPOUNDS USEFUL AS PDK1 INHIBITORS SUNESIS PHARMACEUTICALS, INC. 2019-04-25 US disclosed
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 (4 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 4849/4885NNMT 3139/4885PARP1 3952/4885
US-20050245536-A1 Cytokine inhibitors IL1B, TNF, IL1A L3MBTL1 4849/4885NNMT 3139/4885PARP1 3952/4885
US-20070275946-A1 Cytokine Inhibitors IL1B, TNF, IL1A L3MBTL1 4849/4885NNMT 3139/4885PARP1 3952/4885
US-20190119268-A1 HETEROCYCLIC COMPOUNDS USEFUL AS PDK1 INHIBITORS PDK1, PDK2, PDK3 L3MBTL1 1895/4885NNMT 2347/4885PARP1 810/4885

“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.