SCHEMBL4049112

SCHEMBL4049112

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

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
AURKA O14965 1/20 0.46
TTK P33981 1/20 0.46
AURKB Q96GD4 1/20 0.46
INCENP Q9NQS7 1/20 0.46
MEN1 O00255 1/20 0.38
ALDH1A1 P00352 1/20 0.38
GAA P10253 1/20 0.38
MAPT P10636 1/20 0.38
PKM P14618 1/20 0.38
RECQL P46063 1/20 0.38
KMT2A Q03164 1/20 0.38
BRD4 O60885 10/20 0.38
POLB P06746 1/20 0.34
HTR1D P28221 1/20 0.32
SCN5A Q14524 1/20 0.31
SCN9A Q15858 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
SCHEMBL15574103 0.82 AURKA (0.45) AURKATTKAURKBINCENPALDH1A1
SCHEMBL24565779 0.79 AURKA (0.42) AURKATTKAURKBINCENPBRD4
SCHEMBL12157418 0.79 BRD4 (0.48) BRD4POLB
SCHEMBL23957950 0.78 MEN1 (0.37) AURKATTKAURKBINCENPMEN1
SCHEMBL13688726 0.78 GABBR2 (0.32) ALDH1A1MAPTBRD4
SCHEMBL22213805 0.76 CREBBP (0.35) BRD4HTR1D
SCHEMBL19871785 0.76 BRD4 (0.31) BRD4
SCHEMBL23351070 0.74 HTR1D (0.34) BRD4HTR1D
SCHEMBL4049110 0.74 BRD4 (0.39) MEN1KMT2ABRD4
SCHEMBL28223511 0.74 AURKA (0.52) AURKATTKAURKBINCENPALDH1A1

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 23 patents — showing the first 20. 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-10570118-B2 Isoquinolones as BTK inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2020-02-25 US disclosed
US-20190023686-A1 ISOQUINOLONES AS BTK INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2019-01-24 US disclosed
US-7592332-B2 Cytokine inhibitors BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2009-09-22 US disclosed
US-7592332-B2 Cytokine inhibitors BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2009-09-22 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
US-20090023701-A1 Cytokine Inhibitors AUNGST RONALD A 2009-01-22 US disclosed
US-20070275946-A1 Cytokine Inhibitors AUNGST RONALD A 2007-11-29 US 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
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
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 (5 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 AURKA 4213/4885TTK 4197/4885AURKB 2750/4885
US-20050245536-A1 Cytokine inhibitors IL1B, TNF, IL1A AURKA 4213/4885TTK 4197/4885AURKB 2750/4885
US-20070275946-A1 Cytokine Inhibitors IL1B, TNF, IL1A AURKA 4213/4885TTK 4197/4885AURKB 2750/4885
US-10570118-B2 Isoquinolones as BTK inhibitors BTK, SYK, LYN AURKA 804/4885TTK 687/4885AURKB 385/4885
US-20190023686-A1 ISOQUINOLONES AS BTK INHIBITORS BTK, SYK, LYN AURKA 804/4885TTK 687/4885AURKB 385/4885

“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.