SCHEMBL530048

SCHEMBL530048

Nc1ccc(CN2CCCC2)nc1

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 6/20 0.53
ALDH1A1 P00352 1/20 0.52
ACHE P22303 2/20 0.45
CYP1A2 P05177 1/20 0.41
CYP2D6 P10635 1/20 0.41
LTA4H P09960 3/20 0.40
KCNH2 Q12809 2/20 0.40
DRD2 P14416 1/20 0.40
MAOA P21397 1/20 0.40
CHRNB2 P17787 1/20 0.40
CHRNA4 P43681 1/20 0.40
PTGS1 P23219 1/20 0.39
PTGS2 P35354 1/20 0.39
CHRM2 P08172 1/20 0.39
CHRM1 P11229 1/20 0.39
CHRM3 P20309 1/20 0.39

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
SCHEMBL17403600 0.86 HRH3 (0.55) HRH3ALDH1A1KCNH2
SCHEMBL14308621 0.85 L3MBTL1 (0.45) HRH3ALDH1A1CHRM2CHRM1CHRM3
SCHEMBL3314825 0.84 CXCR4 (0.45) HRH3ALDH1A1CHRM2CHRM1
SCHEMBL1126270 0.84 GAA (0.49) HRH3ALDH1A1CHRM2CHRM1CHRM3
SCHEMBL29475484 0.84 LMNA (0.57) HRH3ALDH1A1LTA4H
SCHEMBL1126227 0.84 LMNA (0.57) HRH3ALDH1A1LTA4H
SCHEMBL465732 0.84 HRH3 (0.53) HRH3ALDH1A1KCNH2
Hydrochloric Acid SCHEMBL2770716 0.83 HRH3 (0.52) HRH3ALDH1A1KCNH2
SCHEMBL13460107 0.82 CHRM2 (0.47) HRH3ALDH1A1KCNH2CHRM2CHRM1
SCHEMBL15244569 0.82 HRH3 (0.43) HRH3ALDH1A1CYP2D6CHRM2CHRM1

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 146 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2282995-B1 DERIVATIVES OF QUINOLINES AND QUINOXALINES AS PROTEIN TYROSINE KINASE INHIBITORS NOVARTIS AG (CH) 2015-08-26 EP claimed
US-8536175-B2 Quinoxaline carboxamide derivatives as protein tyrosine kinase inhibitors NOVARTIS AG (CH) 2013-09-17 US claimed
US-20120309741-A1 QUINOXALINE CARBOXAMIDE DERIVATIVES AS PROTEIN TYROSINE KINASE INHIBITORS NOVARTIS AG (CH) 2012-12-06 US claimed
WO-2009141386-A1 DERIVATIVES OF QUINOLINES AND QUINOXALINES AS PROTEIN TYROSINE KINASE INHIBITORS NOVARTIS AG (CH) 2009-11-26 WO claimed
US-11780823-B2 Indazole-3-carboxamides and their use as Wnt/β-catenin signaling pathway inhibitors BIOSPLICE THERAPEUTICS, INC. (US) 2023-10-10 US disclosed
US-11780823-B2 Indazole-3-carboxamides and their use as Wnt/β-catenin signaling pathway inhibitors BIOSPLICE THERAPEUTICS, INC. (US) 2023-10-10 US disclosed
US-11780823-B2 Indazole-3-carboxamides and their use as Wnt/β-catenin signaling pathway inhibitors BIOSPLICE THERAPEUTICS, INC. (US) 2023-10-10 US disclosed
US-11713320-B2 5-heteroaryl substituted indazole-3-carboxamides and preparation and use thereof BIOSPLICE THERAPEUTICS, INC. (US) 2023-08-01 US disclosed
US-11713320-B2 5-heteroaryl substituted indazole-3-carboxamides and preparation and use thereof BIOSPLICE THERAPEUTICS, INC. (US) 2023-08-01 US disclosed
US-11713320-B2 5-heteroaryl substituted indazole-3-carboxamides and preparation and use thereof BIOSPLICE THERAPEUTICS, INC. (US) 2023-08-01 US disclosed
US-11684615-B2 Methods of using indazole-3-carboxamides and their use as Wnt/β-catenin signaling pathway inhibitors BIOSPLICE THERAPEUTICS, INC. (US) 2023-06-27 US disclosed
US-11684615-B2 Methods of using indazole-3-carboxamides and their use as Wnt/β-catenin signaling pathway inhibitors BIOSPLICE THERAPEUTICS, INC. (US) 2023-06-27 US disclosed
WO-2008152013-A1 INDOLINONE DERIVATIVES AND THEIR USE IN TREATING DISEASE-STATES SUCH AS CANCER BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-12-18 WO disclosed
WO-2008077885-A2 2- [(PHENYLAMINO) -PYRIMIDIN-4YLAMIN0] -CYCLOPENTANE CARBOXAMIDE DERIVATIVES AND RELATED COMPOUNDS AS INHIBITORS OF KINASES OF THE CELL CYCLE FOR THE TREATMENT OF CANCER BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-07-03 WO disclosed
WO-2008077885-A2 2- [(PHENYLAMINO) -PYRIMIDIN-4YLAMIN0] -CYCLOPENTANE CARBOXAMIDE DERIVATIVES AND RELATED COMPOUNDS AS INHIBITORS OF KINASES OF THE CELL CYCLE FOR THE TREATMENT OF CANCER BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-07-03 WO disclosed
US-20070213339-A1 Quinolone Carboxylic Acid Derivatives for Treatment of Hyperproliferative Conditions BAYER PHARMACEUTICALS CORPORATION (US) 2007-09-13 US disclosed
US-20070213339-A1 Quinolone Carboxylic Acid Derivatives for Treatment of Hyperproliferative Conditions BAYER PHARMACEUTICALS CORPORATION (US) 2007-09-13 US disclosed
US-20070213339-A1 Quinolone Carboxylic Acid Derivatives for Treatment of Hyperproliferative Conditions BAYER PHARMACEUTICALS CORPORATION (US) 2007-09-13 US disclosed
EP-1732897-A1 QUINOLONE CARBOXYLIC ACID DERIVATIVES FOR TREATMENT OF HYPERPROLIFERATIVE CONDITIONS Bayer Pharmaceuticals Corporation (US) 2006-12-20 EP disclosed
WO-2005097752-A1 QUINOLONE CARBOXYLIC ACID DERIVATIVES FOR TREATMENT OF HYPERPROLIFERATIVE CONDITIONS BAYER PHARMACEUTICALS CORPORATION (US) 2005-10-20 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 (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-20070213339-A1 Quinolone Carboxylic Acid Derivatives for Treatment of Hyperproliferative Conditions TP53, RB1, HRAS HRH3 494/4885ALDH1A1 272/4885ACHE 4791/4885
US-11713320-B2 5-heteroaryl substituted indazole-3-carboxamides and preparation and use thereof DYRK1A, WNT3, DYRK3 HRH3 1266/4885ALDH1A1 3709/4885ACHE 2216/4885
US-11684615-B2 Methods of using indazole-3-carboxamides and their use as Wnt/β-catenin signaling pathway inhibitors WNT3, WNT3A, WNT1 HRH3 784/4885ALDH1A1 2846/4885ACHE 2611/4885
US-20120309741-A1 QUINOXALINE CARBOXAMIDE DERIVATIVES AS PROTEIN TYROSINE KINASE INHIBITORS ABL1, BTK, PDXK HRH3 1578/4885ALDH1A1 3177/4885ACHE 2488/4885
US-11780823-B2 Indazole-3-carboxamides and their use as Wnt/β-catenin signaling pathway inhibitors WNT1, WNT3, WNT3A HRH3 1885/4885ALDH1A1 1282/4885ACHE 1403/4885

“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.